N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

C19H17N3O3 — CID 136982732

IUPACN-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C19H17N3O3/c1-12(13-7-9-15(23)10-8-13)20-19(25)16-11-17(24)22-18(21-16)14-5-3-2-4-6-14/h2-12,23H,1H3,(H,20,25)(H,21,22,24)/t12-/m1/s1
InChIKeyDSNFCGGRMGDDSA-GFCCVEGCSA-N
MW335.36 g/mol
LogP2.63
Rot. Bonds4

About N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide

N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (PubChem CID 136982732) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
PubChem CID136982732
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C19H17N3O3/c1-12(13-7-9-15(23)10-8-13)20-19(25)16-11-17(24)22-18(21-16)14-5-3-2-4-6-14/h2-12,23H,1H3,(H,20,25)(H,21,22,24)/t12-/m1/s1
InChIKeyDSNFCGGRMGDDSA-GFCCVEGCSA-N
XLogP2.63
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982729
N-[(1R)-1-(4-hydroxyphenyl)-2-methylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982554
N-[1-(4-cyanophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 137126172
N-[1-(3-chlorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982731
N-[(1R)-1-naphthalen-1-ylethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982863
6-oxo-2-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982822
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxamide
CID 136982620
N-[(1R)-2,2-dimethyl-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]propyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136983177
N-[(1R)-1-(4-cyclopropylphenyl)-2,2-dimethylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982992
[4-[(1R)-1-[(6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carbonyl)amino]ethyl]phenyl] hypofluorite
CID 136983135
N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982966
N-[(1R)-1-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-2-methylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136983023

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide (CID 136982732) is N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1cc(=O)[nH]c(-c2ccccc2)n1)c1ccc(O)cc1.
What is the InChIKey of N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
The InChIKey is DSNFCGGRMGDDSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12(13-7-9-15(23)10-8-13)20-19(25)16-11-17(24)22-18(21-16)14-5-3-2-4-6-14/h2-12,23H,1H3,(H,20,25)(H,21,22,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide?
N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-hydroxyphenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).