CAS RN: 744175-78-8
4-Pyrimidinecarboxylicacid,2-(aminomethyl)-1,4,5,6-tetrahydro-(9CI)
- Product code: SSC-183872
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
744175-78-8 / 2-(aminomethyl)-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Basic Information
CAS
744175-78-8
Multi CAS
No
Molecular Formula
C6H11N3O2
Molecular Weight
157.170000
Exact Mass
157.085127
InChI
InChI=1S/C6H11N3O2/c7-3-5-8-2-1-4(9-5)6(10)11/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKey
FXPVXLLICWGRGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
40.53
TPSA
87.71
LogP / Solubility
WLOGP
-1.21
MLOGP
-1.07
XLogP3
-4
Consensus LogP
-2.09
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.08
Class (SILICOS-IT)
Highly 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)
-4.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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