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

C13H13ClN4O — CID 116795046

IUPAC2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide
SMILESCC(N)(C(=O)Nc1ccnc(Cl)n1)c1ccccc1
InChIInChI=1S/C13H13ClN4O/c1-13(15,9-5-3-2-4-6-9)11(19)17-10-7-8-16-12(14)18-10/h2-8H,15H2,1H3,(H,16,17,18,19)
InChIKeySAMHQTSIAJVNLQ-UHFFFAOYSA-N
MW276.73 g/mol
LogP1.94
Rot. Bonds3

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

2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide (PubChem CID 116795046) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide
PubChem CID116795046
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide
SMILESCC(N)(C(=O)Nc1ccnc(Cl)n1)c1ccccc1
InChIInChI=1S/C13H13ClN4O/c1-13(15,9-5-3-2-4-6-9)11(19)17-10-7-8-16-12(14)18-10/h2-8H,15H2,1H3,(H,16,17,18,19)
InChIKeySAMHQTSIAJVNLQ-UHFFFAOYSA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 174484934
N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide
CID 116795036
2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
CID 62488219
2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide (CID 116795046) is 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide is CC(N)(C(=O)Nc1ccnc(Cl)n1)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide?
The InChIKey is SAMHQTSIAJVNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-13(15,9-5-3-2-4-6-9)11(19)17-10-7-8-16-12(14)18-10/h2-8H,15H2,1H3,(H,16,17,18,19).
What are the key properties of 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide?
2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide has a molecular weight of 276.73 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide is sourced from PubChem (CID 116795046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).