2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide

C19H21N5O2 — CID 77095447

IUPAC2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(CCn2ccnc2C)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H21N5O2/c1-13-21-12-16(18(25)22-13)19(26)23-17(15-6-4-3-5-7-15)8-10-24-11-9-20-14(24)2/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyFXCWMCVTYDUZHH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.14
Rot. Bonds6

About 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 77095447) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID77095447
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(CCn2ccnc2C)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H21N5O2/c1-13-21-12-16(18(25)22-13)19(26)23-17(15-6-4-3-5-7-15)8-10-24-11-9-20-14(24)2/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyFXCWMCVTYDUZHH-UHFFFAOYSA-N
XLogP2.14
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
CID 119061752
1-methyl-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96572217
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77088444
formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
CID 154910019
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91796873
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea
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2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92611687
N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97117724
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 77095447) is 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC(CCn2ccnc2C)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FXCWMCVTYDUZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-21-12-16(18(25)22-13)19(26)23-17(15-6-4-3-5-7-15)8-10-24-11-9-20-14(24)2/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,23,26)(H,21,22,25).
What are the key properties of 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 77095447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).