N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide

C18H22N4O4 — CID 109320007

IUPACN-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc(OC)c1OC
InChIInChI=1S/C18H22N4O4/c1-10-7-13(17(23)20-11-5-6-11)22-18(19-10)21-12-8-14(24-2)16(26-4)15(9-12)25-3/h7-9,11H,5-6H2,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyBJJLBAMRYMCZSM-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.45
Rot. Bonds7

About N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide

N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109320007) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109320007
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc(OC)c1OC
InChIInChI=1S/C18H22N4O4/c1-10-7-13(17(23)20-11-5-6-11)22-18(19-10)21-12-8-14(24-2)16(26-4)15(9-12)25-3/h7-9,11H,5-6H2,1-4H3,(H,20,23)(H,19,21,22)
InChIKeyBJJLBAMRYMCZSM-UHFFFAOYSA-N
XLogP2.45
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109319972
6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109321155
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109339389
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
N-cyclopropyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319930
2-(3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-4-carboxamide
CID 109331382

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide (CID 109320007) is N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide is COc1cc(Nc2nc(C)cc(C(=O)NC3CC3)n2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is BJJLBAMRYMCZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-10-7-13(17(23)20-11-5-6-11)22-18(19-10)21-12-8-14(24-2)16(26-4)15(9-12)25-3/h7-9,11H,5-6H2,1-4H3,(H,20,23)(H,19,21,22).
What are the key properties of N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).