N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide

C15H17N3O2 — CID 110001315

IUPACN-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(CO)c2ccccc2)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-10-13(8-16-11(2)17-10)15(20)18-14(9-19)12-6-4-3-5-7-12/h3-8,14,19H,9H2,1-2H3,(H,18,20)
InChIKeyYKGBTSTWQXWIED-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.56
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide

N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 110001315) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID110001315
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(CO)c2ccccc2)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-10-13(8-16-11(2)17-10)15(20)18-14(9-19)12-6-4-3-5-7-12/h3-8,14,19H,9H2,1-2H3,(H,18,20)
InChIKeyYKGBTSTWQXWIED-UHFFFAOYSA-N
XLogP1.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92611687
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
N-[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 97338063
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 103878997
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide (CID 110001315) is N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC(CO)c2ccccc2)c(C)n1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is YKGBTSTWQXWIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-13(8-16-11(2)17-10)15(20)18-14(9-19)12-6-4-3-5-7-12/h3-8,14,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide?
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110001315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).