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

C19H26N4O4 — CID 109321155

IUPAC6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cc(Nc2nc(C)cc(C(=O)NCC(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-11(2)10-20-18(24)14-7-12(3)21-19(23-14)22-13-8-15(25-4)17(27-6)16(9-13)26-5/h7-9,11H,10H2,1-6H3,(H,20,24)(H,21,22,23)
InChIKeyQWJNCJPKTKGXIE-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.94
Rot. Bonds8

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

6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109321155) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109321155
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cc(Nc2nc(C)cc(C(=O)NCC(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-11(2)10-20-18(24)14-7-12(3)21-19(23-14)22-13-8-15(25-4)17(27-6)16(9-13)26-5/h7-9,11H,10H2,1-6H3,(H,20,24)(H,21,22,23)
InChIKeyQWJNCJPKTKGXIE-UHFFFAOYSA-N
XLogP2.94
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109320007
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333213
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
2-(2-bromoanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321144
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109151937
6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109321174
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132
2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321165
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109324112

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide (CID 109321155) is 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide is COc1cc(Nc2nc(C)cc(C(=O)NCC(C)C)n2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is QWJNCJPKTKGXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-11(2)10-20-18(24)14-7-12(3)21-19(23-14)22-13-8-15(25-4)17(27-6)16(9-13)26-5/h7-9,11H,10H2,1-6H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide?
6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109321155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).