2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide

C12H18ClN3O2 — CID 114582373

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O2/c1-4-5-8(2)15-12(18)9(3)16-7-14-10(13)6-11(16)17/h6-9H,4-5H2,1-3H3,(H,15,18)
InChIKeyCAFZFGUICAIIGZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.76
Rot. Bonds5

About 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide

2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide (PubChem CID 114582373) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
PubChem CID114582373
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O2/c1-4-5-8(2)15-12(18)9(3)16-7-14-10(13)6-11(16)17/h6-9H,4-5H2,1-3H3,(H,15,18)
InChIKeyCAFZFGUICAIIGZ-UHFFFAOYSA-N
XLogP1.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide (CID 114582373) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide?
The InChIKey is CAFZFGUICAIIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-5-8(2)15-12(18)9(3)16-7-14-10(13)6-11(16)17/h6-9H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide has a molecular weight of 271.75 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 114582373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).