N-(2-phenylpyrimidin-5-yl)propanamide

C13H13N3O — CID 53014772

IUPACN-(2-phenylpyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H13N3O/c1-2-12(17)16-11-8-14-13(15-9-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17)
InChIKeyHPSSAJLQIJBDFJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.49
Rot. Bonds3

About N-(2-phenylpyrimidin-5-yl)propanamide

N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 53014772) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID53014772
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(2-phenylpyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H13N3O/c1-2-12(17)16-11-8-14-13(15-9-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17)
InChIKeyHPSSAJLQIJBDFJ-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
2-methylsulfanyl-N-(2-phenylpyrimidin-5-yl)acetamide
CID 47128547
2-phenoxy-N-(2-phenylpyrimidin-5-yl)acetamide
CID 17407421
N-(4-pyrimidin-2-ylphenyl)propanamide
CID 137348877
2,2-dimethyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]propanamide
CID 134009428
3-acetamido-3-phenyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009235
3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
2-methyl-N-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]benzamide
CID 134056276
2-amino-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709270
N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 21177324
2-amino-2-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 60848234
2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709265

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of N-(2-phenylpyrimidin-5-yl)propanamide (CID 53014772) is N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2-phenylpyrimidin-5-yl)propanamide is CCC(=O)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is HPSSAJLQIJBDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-12(17)16-11-8-14-13(15-9-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of N-(2-phenylpyrimidin-5-yl)propanamide?
N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 227.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 53014772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).