3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide

C8H11ClN4O2 — CID 114582756

IUPAC3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H11ClN4O2/c1-11-5(14)2-3-13-4-12-7(9)6(10)8(13)15/h4H,2-3,10H2,1H3,(H,11,14)
InChIKeyJCMKVVSUXJIUSN-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.38
Rot. Bonds3

About 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide

3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 114582756) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID114582756
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H11ClN4O2/c1-11-5(14)2-3-13-4-12-7(9)6(10)8(13)15/h4H,2-3,10H2,1H3,(H,11,14)
InChIKeyJCMKVVSUXJIUSN-UHFFFAOYSA-N
XLogP-0.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
2-[2-chloro-4-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092970
4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
CID 143220714
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]propanamide
CID 169130885
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide
CID 169130886
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide
CID 169130889
2-Amino-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 81941543
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604268
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 113604274
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 114582756) is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is JCMKVVSUXJIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-11-5(14)2-3-13-4-12-7(9)6(10)8(13)15/h4H,2-3,10H2,1H3,(H,11,14).
What are the key properties of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 230.66 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 114582756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).