N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide

C17H20N4O3 — CID 109319972

IUPACN-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc1OC
InChIInChI=1S/C17H20N4O3/c1-10-8-13(16(22)19-11-4-5-11)21-17(18-10)20-12-6-7-14(23-2)15(9-12)24-3/h6-9,11H,4-5H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyVQDAQPDDPKOFKX-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.44
Rot. Bonds6

About N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide

N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109319972) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109319972
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc1OC
InChIInChI=1S/C17H20N4O3/c1-10-8-13(16(22)19-11-4-5-11)21-17(18-10)20-12-6-7-14(23-2)15(9-12)24-3/h6-9,11H,4-5H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyVQDAQPDDPKOFKX-UHFFFAOYSA-N
XLogP2.44
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109320007
2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335782
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
[2-(3,4-dimethoxyanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321853
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337761
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109319972) is N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is VQDAQPDDPKOFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-8-13(16(22)19-11-4-5-11)21-17(18-10)20-12-6-7-14(23-2)15(9-12)24-3/h6-9,11H,4-5H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).