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

C12H17ClN4O2 — CID 114582650

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESNc1c(Cl)ncn(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C12H17ClN4O2/c13-11-10(14)12(19)17(7-15-11)6-9(18)16-8-4-2-1-3-5-8/h7-8H,1-6,14H2,(H,16,18)
InChIKeyBRDXEZCFIWLYMZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.93
Rot. Bonds3

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (PubChem CID 114582650) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
PubChem CID114582650
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
SMILESNc1c(Cl)ncn(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C12H17ClN4O2/c13-11-10(14)12(19)17(7-15-11)6-9(18)16-8-4-2-1-3-5-8/h7-8H,1-6,14H2,(H,16,18)
InChIKeyBRDXEZCFIWLYMZ-UHFFFAOYSA-N
XLogP0.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.93
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-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534909
N-cyclohexyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308225
N-cyclohexyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341779
N-cyclohexyl-2-(6-oxopyrimidin-1(6H)-yl)acetamide
CID 95921860
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
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
5-Amino-3-[2-(azepan-1-yl)-2-oxoethyl]-6-chloropyrimidin-4-one
CID 113604272
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-cyclohexylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide (CID 114582650) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide is Nc1c(Cl)ncn(CC(=O)NC2CCCCC2)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
The InChIKey is BRDXEZCFIWLYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-11-10(14)12(19)17(7-15-11)6-9(18)16-8-4-2-1-3-5-8/h7-8H,1-6,14H2,(H,16,18).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide has a molecular weight of 284.75 g/mol, XLogP of 0.93, 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-cyclohexylacetamide is sourced from PubChem (CID 114582650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).