1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide

C17H18N6O2 — CID 53172140

IUPAC1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cn(-c2cc(N(C)C)ncn2)cn1
InChIInChI=1S/C17H18N6O2/c1-22(2)15-8-16(19-10-18-15)23-9-13(20-11-23)17(24)21-12-6-4-5-7-14(12)25-3/h4-11H,1-3H3,(H,21,24)
InChIKeyMTJVYSPOBRUSJW-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.99
Rot. Bonds5

About 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide

1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide (PubChem CID 53172140) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide
PubChem CID53172140
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cn(-c2cc(N(C)C)ncn2)cn1
InChIInChI=1S/C17H18N6O2/c1-22(2)15-8-16(19-10-18-15)23-9-13(20-11-23)17(24)21-12-6-4-5-7-14(12)25-3/h4-11H,1-3H3,(H,21,24)
InChIKeyMTJVYSPOBRUSJW-UHFFFAOYSA-N
XLogP1.99
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172146
6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358760
6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358783
N-(2-methoxyphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586956
N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172019
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358673
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide (CID 53172140) is 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide is COc1ccccc1NC(=O)c1cn(-c2cc(N(C)C)ncn2)cn1.
What is the InChIKey of 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide?
The InChIKey is MTJVYSPOBRUSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-22(2)15-8-16(19-10-18-15)23-9-13(20-11-23)17(24)21-12-6-4-5-7-14(12)25-3/h4-11H,1-3H3,(H,21,24).
What are the key properties of 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide?
1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)pyrimidin-4-yl]-N-(2-methoxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 53172140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).