N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide

C13H12ClN3O — CID 114050017

IUPACN-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C13H12ClN3O/c1-9(10-5-3-2-4-6-10)13(18)17-12-7-11(14)15-8-16-12/h2-9H,1H3,(H,15,16,17,18)
InChIKeyHFGSAYABUOFJNP-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.87
Rot. Bonds3

About N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide

N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide (PubChem CID 114050017) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
PubChem CID114050017
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C13H12ClN3O/c1-9(10-5-3-2-4-6-10)13(18)17-12-7-11(14)15-8-16-12/h2-9H,1H3,(H,15,16,17,18)
InChIKeyHFGSAYABUOFJNP-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[6-(3-methoxyphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 174623305
N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 163623994
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
N-(6-methyl-2-pyridinyl)-2-phenylpropanamide
CID 70678328
(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
CID 129369078
N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114050020
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylpropanamide
CID 59509155
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
CID 117075041
2-phenyl-N-[6-(2H-pyrrol-4-yl)isoquinolin-3-yl]propanamide
CID 59224447

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide (CID 114050017) is N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide is CC(C(=O)Nc1cc(Cl)ncn1)c1ccccc1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide?
The InChIKey is HFGSAYABUOFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9(10-5-3-2-4-6-10)13(18)17-12-7-11(14)15-8-16-12/h2-9H,1H3,(H,15,16,17,18).
What are the key properties of N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide?
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide has a molecular weight of 261.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide is sourced from PubChem (CID 114050017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).