N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

C13H17Cl2N3O2 — CID 114582984

IUPACN-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C13H17Cl2N3O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(15)10(14)13(18)20/h7-9H,2-6H2,1H3,(H,17,19)
InChIKeyXHUKHPPUQBBIJD-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.56
Rot. Bonds3

About N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114582984) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114582984
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C13H17Cl2N3O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(15)10(14)13(18)20/h7-9H,2-6H2,1H3,(H,17,19)
InChIKeyXHUKHPPUQBBIJD-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604307
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312
N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604326
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604350
N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604357
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604360
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 113604442

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (CID 114582984) is N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is CC(C(=O)NC1CCCCC1)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is XHUKHPPUQBBIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(15)10(14)13(18)20/h7-9H,2-6H2,1H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 318.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114582984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).