2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C21H22N4O2 — CID 109335915

IUPAC2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C21H22N4O2/c1-13-8-14(2)10-17(9-13)24-21-22-15(3)11-19(25-21)20(26)23-16-6-5-7-18(12-16)27-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyQRMDTQFQOCKFRC-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.41
Rot. Bonds5

About 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335915) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109335915
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C21H22N4O2/c1-13-8-14(2)10-17(9-13)24-21-22-15(3)11-19(25-21)20(26)23-16-6-5-7-18(12-16)27-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyQRMDTQFQOCKFRC-UHFFFAOYSA-N
XLogP4.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331064
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109337500
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109335915) is 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is QRMDTQFQOCKFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-8-14(2)10-17(9-13)24-21-22-15(3)11-19(25-21)20(26)23-16-6-5-7-18(12-16)27-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).