N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C17H22N4O2 — CID 109361864

IUPACN-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C17H22N4O2/c1-4-5-10-18-17(22)15-11-16(20-12(2)19-15)21-13-6-8-14(23-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyJYSWKGIPXGVEEA-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds7

About N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109361864) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109361864
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C17H22N4O2/c1-4-5-10-18-17(22)15-11-16(20-12(2)19-15)21-13-6-8-14(23-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyJYSWKGIPXGVEEA-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850
6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846848
6-anilino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372217
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
6-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370328
N-butyl-6-[4-chloro-3-(trifluoromethyl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361908
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 109361864) is N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc(C)n1.
What is the InChIKey of N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JYSWKGIPXGVEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-5-10-18-17(22)15-11-16(20-12(2)19-15)21-13-6-8-14(23-3)9-7-13/h6-9,11H,4-5,10H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).