2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C19H26N4O — CID 109333217

IUPAC2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)cc1
InChIInChI=1S/C19H26N4O/c1-5-15-6-8-16(9-7-15)22-19-21-14(4)12-17(23-19)18(24)20-11-10-13(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyXSVCIHWNCVPNCJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.87
Rot. Bonds7

About 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109333217) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109333217
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)cc1
InChIInChI=1S/C19H26N4O/c1-5-15-6-8-16(9-7-15)22-19-21-14(4)12-17(23-19)18(24)20-11-10-13(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyXSVCIHWNCVPNCJ-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333213
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
2-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328770
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109333268
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
N,N-diethyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332354
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109333217) is 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is CCc1ccc(Nc2nc(C)cc(C(=O)NCCC(C)C)n2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is XSVCIHWNCVPNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-15-6-8-16(9-7-15)22-19-21-14(4)12-17(23-19)18(24)20-11-10-13(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).