N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide

C20H23N5O3 — CID 51596011

IUPACN-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2cnc(C)nc2C)c2nccn2C)cc1OC
InChIInChI=1S/C20H23N5O3/c1-12-15(11-22-13(2)23-12)20(26)24-18(19-21-8-9-25(19)3)14-6-7-16(27-4)17(10-14)28-5/h6-11,18H,1-5H3,(H,24,26)/t18-/m1/s1
InChIKeyMILRIABBFIWLGQ-GOSISDBHSA-N
MW381.44 g/mol
LogP2.36
Rot. Bonds6

About N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide

N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 51596011) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID51596011
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2cnc(C)nc2C)c2nccn2C)cc1OC
InChIInChI=1S/C20H23N5O3/c1-12-15(11-22-13(2)23-12)20(26)24-18(19-21-8-9-25(19)3)14-6-7-16(27-4)17(10-14)28-5/h6-11,18H,1-5H3,(H,24,26)/t18-/m1/s1
InChIKeyMILRIABBFIWLGQ-GOSISDBHSA-N
XLogP2.36
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 95806845
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 46631518
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 78835145
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 36519305
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 43013985
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316123

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide (CID 51596011) is N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide is COc1ccc([C@@H](NC(=O)c2cnc(C)nc2C)c2nccn2C)cc1OC.
What is the InChIKey of N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is MILRIABBFIWLGQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-15(11-22-13(2)23-12)20(26)24-18(19-21-8-9-25(19)3)14-6-7-16(27-4)17(10-14)28-5/h6-11,18H,1-5H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 51596011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).