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CAS 110472-90-7 6-AMino-3-propylpyriMidine-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 110472-90-7

6-AMino-3-propylpyriMidine-2,4(1H,3H)-dione

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS110472-90-7
  • Purity/Analytical Methods: >99.0%
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110472-90-7 / 6-amino-3-propyl-1H-pyrimidine-2,4-dione

6-Amino-3-propylpyrimidine-2,4(1H,3H)-dione | DTXSID00452500 | RefChem:307104

Standard CAS: 110472-90-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110472-90-7
Multi CAS
Yes
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
SMILES
CCCN1C(=O)C=C(NC1=O)N
InChI
InChI=1S/C7H11N3O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,12)
InChIKey
FPJMMVWPHPRAMW-UHFFFAOYSA-N
Synonyms
6-Amino-3-propylpyrimidine-2,4(1H,3H)-dione DTXSID00452500 RefChem:307104 DTXCID40403319 6-amino-3-propyl-1H-pyrimidine-2,4-dione

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.03
TPSA
80.88

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.42
XLogP3
-0.4
Consensus LogP
-0.43
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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