6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

C20H20N4O3 — CID 112850479

IUPAC6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Nc3cccc(OC)c3)nc(C)n2)c1
InChIInChI=1S/C20H20N4O3/c1-13-21-18(20(25)24-15-7-5-9-17(11-15)27-3)12-19(22-13)23-14-6-4-8-16(10-14)26-2/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyIHZFSGRCYKTCGT-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.80
Rot. Bonds6

About 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850479) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850479
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Nc3cccc(OC)c3)nc(C)n2)c1
InChIInChI=1S/C20H20N4O3/c1-13-21-18(20(25)24-15-7-5-9-17(11-15)27-3)12-19(22-13)23-14-6-4-8-16(10-14)26-2/h4-12H,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyIHZFSGRCYKTCGT-UHFFFAOYSA-N
XLogP3.80
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553
N-(3-chloro-2-methylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850211
N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112848883
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846528
6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
N-(3-methoxyphenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370787

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 112850479) is 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(Nc3cccc(OC)c3)nc(C)n2)c1.
What is the InChIKey of 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is IHZFSGRCYKTCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-21-18(20(25)24-15-7-5-9-17(11-15)27-3)12-19(22-13)23-14-6-4-8-16(10-14)26-2/h4-12H,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).