6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C17H22N4O3 — CID 109360708

IUPAC6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NC(C)C)nc(C)n2)cc1OC
InChIInChI=1S/C17H22N4O3/c1-10(2)18-17(22)13-9-16(20-11(3)19-13)21-12-6-7-14(23-4)15(8-12)24-5/h6-10H,1-5H3,(H,18,22)(H,19,20,21)
InChIKeyXEEJSYQNQSRTJP-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.68
Rot. Bonds6

About 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109360708) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109360708
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NC(C)C)nc(C)n2)cc1OC
InChIInChI=1S/C17H22N4O3/c1-10(2)18-17(22)13-9-16(20-11(3)19-13)21-12-6-7-14(23-4)15(8-12)24-5/h6-10H,1-5H3,(H,18,22)(H,19,20,21)
InChIKeyXEEJSYQNQSRTJP-UHFFFAOYSA-N
XLogP2.68
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-6-(3,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362633
N-(3,4-dimethoxyphenyl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849092
6-(3,4-dimethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368685
N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112850763
6-[4-chloro-3-(trifluoromethyl)anilino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360745
N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848932
6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846634
[6-(3,4-dimethoxyanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367398
N-(5-chloro-2-methoxyphenyl)-6-(3,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849001
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109360676

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109360708) is 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)NC(C)C)nc(C)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is XEEJSYQNQSRTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)18-17(22)13-9-16(20-11(3)19-13)21-12-6-7-14(23-4)15(8-12)24-5/h6-10H,1-5H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).