N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide

C20H19N3O — CID 92648536

IUPACN-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(C)n1
InChIInChI=1S/C20H19N3O/c1-14-18(13-21-15(2)22-14)20(24)23-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19H,1-2H3,(H,23,24)
InChIKeyDPBIXJGNDQKRJO-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.61
Rot. Bonds4

About N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide

N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 92648536) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID92648536
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(C)n1
InChIInChI=1S/C20H19N3O/c1-14-18(13-21-15(2)22-14)20(24)23-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19H,1-2H3,(H,23,24)
InChIKeyDPBIXJGNDQKRJO-UHFFFAOYSA-N
XLogP3.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
N-[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 97338063
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648552
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92611687
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid
CID 120521227
2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 120516086
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 72937318

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide (CID 92648536) is N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC(c2ccccc2)c2ccccc2)c(C)n1.
What is the InChIKey of N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is DPBIXJGNDQKRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-18(13-21-15(2)22-14)20(24)23-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19H,1-2H3,(H,23,24).
What are the key properties of N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide?
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 92648536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).