N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide

C13H13N3O — CID 91294472

IUPACN-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ncccn1)c1ccccc1
InChIInChI=1S/C13H13N3O/c1-10(11-6-3-2-4-7-11)16-13(17)12-14-8-5-9-15-12/h2-10H,1H3,(H,16,17)/t10-/m1/s1
InChIKeyFGQSFQDSIAPGSZ-SNVBAGLBSA-N
MW227.27 g/mol
LogP1.97
Rot. Bonds3

About N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide

N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide (PubChem CID 91294472) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
PubChem CID91294472
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ncccn1)c1ccccc1
InChIInChI=1S/C13H13N3O/c1-10(11-6-3-2-4-7-11)16-13(17)12-14-8-5-9-15-12/h2-10H,1H3,(H,16,17)/t10-/m1/s1
InChIKeyFGQSFQDSIAPGSZ-SNVBAGLBSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
CID 10040229
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide (CID 91294472) is N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide is C[C@@H](NC(=O)c1ncccn1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide?
The InChIKey is FGQSFQDSIAPGSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10(11-6-3-2-4-7-11)16-13(17)12-14-8-5-9-15-12/h2-10H,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide?
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 91294472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).