2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide

C18H24N4O — CID 109311869

IUPAC2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)NCCC(C)C)n2)c1
InChIInChI=1S/C18H24N4O/c1-12(2)7-9-19-17(23)15-8-10-20-18(21-15)22-16-11-13(3)5-6-14(16)4/h5-6,8,10-12H,7,9H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyFFYWNGIEZOUHMY-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.61
Rot. Bonds6

About 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide

2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109311869) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109311869
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(Nc2nccc(C(=O)NCCC(C)C)n2)c1
InChIInChI=1S/C18H24N4O/c1-12(2)7-9-19-17(23)15-8-10-20-18(21-15)22-16-11-13(3)5-6-14(16)4/h5-6,8,10-12H,7,9H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyFFYWNGIEZOUHMY-UHFFFAOYSA-N
XLogP3.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311936
N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311906
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
N-(3-methylbutyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311907
N-(2,6-difluorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314895
N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311752
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109309895
2-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311924
2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296974
N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314882
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109311869) is 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1ccc(C)c(Nc2nccc(C(=O)NCCC(C)C)n2)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is FFYWNGIEZOUHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)7-9-19-17(23)15-8-10-20-18(21-15)22-16-11-13(3)5-6-14(16)4/h5-6,8,10-12H,7,9H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).