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

C13H17BrClN3O2 — CID 114583411

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C13H17BrClN3O2/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)
InChIKeyXNPDLPZHOWWWAJ-UHFFFAOYSA-N
MW362.66 g/mol
LogP2.67
Rot. Bonds3

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

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide (PubChem CID 114583411) has the molecular formula C13H17BrClN3O2 and a molecular weight of 362.66 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
PubChem CID114583411
Molecular FormulaC13H17BrClN3O2
Molecular Weight362.66 g/mol
Exact Mass361.02
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C13H17BrClN3O2/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)
InChIKeyXNPDLPZHOWWWAJ-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide (CID 114583411) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)n1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The InChIKey is XNPDLPZHOWWWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3O2/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 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide has a molecular weight of 362.66 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide is sourced from PubChem (CID 114583411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).