N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide

C8H13N5O2 — CID 142610420

IUPACN-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C8H13N5O2/c1-3(2)6(14)12-8-11-5(10)4(9)7(15)13-8/h3H,9H2,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyNEHQNQPRCDBKCV-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.47
Rot. Bonds2

About N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide

N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide (PubChem CID 142610420) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
PubChem CID142610420
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C8H13N5O2/c1-3(2)6(14)12-8-11-5(10)4(9)7(15)13-8/h3H,9H2,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyNEHQNQPRCDBKCV-UHFFFAOYSA-N
XLogP-0.47
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide (CID 142610420) is N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is NEHQNQPRCDBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-3(2)6(14)12-8-11-5(10)4(9)7(15)13-8/h3H,9H2,1-2H3,(H4,10,11,12,13,14,15).
What are the key properties of N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide?
N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 211.22 g/mol, XLogP of -0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 142610420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).