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

C13H13ClN4O2 — CID 114582799

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C13H13ClN4O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(14)10(15)13(18)20/h2-8H,15H2,1H3,(H,17,19)
InChIKeyADIIQEFWNGUTFF-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.68
Rot. Bonds3

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide (PubChem CID 114582799) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide
PubChem CID114582799
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C13H13ClN4O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(14)10(15)13(18)20/h2-8H,15H2,1H3,(H,17,19)
InChIKeyADIIQEFWNGUTFF-UHFFFAOYSA-N
XLogP1.68
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582538
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenoxyphenyl)propanamide
CID 4805058
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
2-(4-aminopyrazol-1-yl)-N-phenylpropanamide
CID 43116751
2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenylpropanamide
CID 4070073
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583580

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide (CID 114582799) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide 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-phenylpropanamide?
The InChIKey is ADIIQEFWNGUTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-8(12(19)17-9-5-3-2-4-6-9)18-7-16-11(14)10(15)13(18)20/h2-8H,15H2,1H3,(H,17,19).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-phenylpropanamide has a molecular weight of 292.73 g/mol, XLogP of 1.68, 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-phenylpropanamide is sourced from PubChem (CID 114582799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).