4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H21N5O2 — CID 56720584

IUPAC4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2ccccc2-n2ccnc2C)C(C)NC(=O)N1
InChIInChI=1S/C18H21N5O2/c1-11-16(12(2)22-18(25)21-11)17(24)20-10-14-6-4-5-7-15(14)23-9-8-19-13(23)3/h4-9,11H,10H2,1-3H3,(H,20,24)(H2,21,22,25)
InChIKeyNSKMXZLHLSCTGM-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.77
Rot. Bonds4

About 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56720584) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56720584
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2ccccc2-n2ccnc2C)C(C)NC(=O)N1
InChIInChI=1S/C18H21N5O2/c1-11-16(12(2)22-18(25)21-11)17(24)20-10-14-6-4-5-7-15(14)23-9-8-19-13(23)3/h4-9,11H,10H2,1-3H3,(H,20,24)(H2,21,22,25)
InChIKeyNSKMXZLHLSCTGM-UHFFFAOYSA-N
XLogP1.77
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72936219
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1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 48735006
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 50959250
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155495465
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 94015798

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56720584) is 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCc2ccccc2-n2ccnc2C)C(C)NC(=O)N1.
What is the InChIKey of 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is NSKMXZLHLSCTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-16(12(2)22-18(25)21-11)17(24)20-10-14-6-4-5-7-15(14)23-9-8-19-13(23)3/h4-9,11H,10H2,1-3H3,(H,20,24)(H2,21,22,25).
What are the key properties of 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56720584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).