CAS 14405-13-1 4(1H)-Pyrimidinone, 2-amino-5-hydroxy-6-methyl- (9CI) molecular structure

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CAS RN: 14405-13-1

4(1H)-Pyrimidinone, 2-amino-5-hydroxy-6-methyl- (9CI)

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260310	100mg / 250mg	Out of stock	5-7 business days	Inquiry

Product code: starshine_CAS14405-13-1
Purity/Analytical Methods: >99.0%

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14405-13-1 / 2-amino-5-hydroxy-4-methyl-1H-pyrimidin-6-one

Standard CAS: 14405-13-1 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

14405-13-1

Multi CAS

Molecular Formula

C5H7N3O2

Molecular Weight

141.130000

Exact Mass

141.053826

SMILES

CC1=C(C(=O)NC(=N1)N)O

InChI

InChI=1S/C5H7N3O2/c1-2-3(9)4(10)8-5(6)7-2/h9H,1H3,(H3,6,7,8,10)

InChIKey

TUJOARNJMDDAHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.2

H-bond acceptors

H-bond donors

Molar refractivity

35.67

TPSA

LogP / Solubility

WLOGP

-0.63

MLOGP

-0.56

XLogP3

-1.1

Consensus LogP

-0.76

Log S (ESOL)

-0.76

Class (ESOL)

Very soluble

Log S (Ali)

-0.26

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.05

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.03

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Corrosive Irritant

Signal

Danger

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501