2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide

C13H19ClN4O2 — CID 114582556

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(14)10(15)13(18)20/h7-9H,2-6,15H2,1H3,(H,17,19)
InChIKeyCJRNFDCXENVBJT-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.49
Rot. Bonds3

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide (PubChem CID 114582556) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
PubChem CID114582556
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(14)10(15)13(18)20/h7-9H,2-6,15H2,1H3,(H,17,19)
InChIKeyCJRNFDCXENVBJT-UHFFFAOYSA-N
XLogP1.49
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-2-[5-[(4-aminocyclohexyl)amino]-3-chloro-2-methyl-6-oxopyrazin-1-yl]acetamide
CID 44394805
N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 166390901
N-cyclohexyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534909
N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341779
2-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 95857433
5-Amino-6-chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913294
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide (CID 114582556) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The InChIKey is CJRNFDCXENVBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(14)10(15)13(18)20/h7-9H,2-6,15H2,1H3,(H,17,19).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide has a molecular weight of 298.77 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide is sourced from PubChem (CID 114582556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).