N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide

C19H21N5O — CID 92611687

IUPACN-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)c(C)n1
InChIInChI=1S/C19H21N5O/c1-14-17(12-21-15(2)22-14)19(25)23-18(16-6-4-3-5-7-16)8-10-24-11-9-20-13-24/h3-7,9,11-13,18H,8,10H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyKCMQSWQIGWWJTF-GOSISDBHSA-N
MW335.41 g/mol
LogP2.85
Rot. Bonds6

About N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide

N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 92611687) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID92611687
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)c(C)n1
InChIInChI=1S/C19H21N5O/c1-14-17(12-21-15(2)22-14)19(25)23-18(16-6-4-3-5-7-16)8-10-24-11-9-20-13-24/h3-7,9,11-13,18H,8,10H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyKCMQSWQIGWWJTF-GOSISDBHSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide
CID 99939338
N-[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 97338063
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97192365
N-(3-imidazol-1-ylpropyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 74232139
N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50982007
1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide
CID 26390849
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77095447
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97436462

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide (CID 92611687) is N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@H](CCn2ccnc2)c2ccccc2)c(C)n1.
What is the InChIKey of N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is KCMQSWQIGWWJTF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-17(12-21-15(2)22-14)19(25)23-18(16-6-4-3-5-7-16)8-10-24-11-9-20-13-24/h3-7,9,11-13,18H,8,10H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 92611687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).