N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C15H26N4O — CID 109320680

IUPACN-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(NCCC(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-6-8-16-14(20)13-10-12(4)18-15(19-13)17-9-7-11(2)3/h10-11H,5-9H2,1-4H3,(H,16,20)(H,17,18,19)
InChIKeyIFSXYRKBHGJBME-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.77
Rot. Bonds8

About N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109320680) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109320680
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(C)nc(NCCC(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-6-8-16-14(20)13-10-12(4)18-15(19-13)17-9-7-11(2)3/h10-11H,5-9H2,1-4H3,(H,16,20)(H,17,18,19)
InChIKeyIFSXYRKBHGJBME-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
N-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109329037
6-methyl-2-(3-methylbutylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327701
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110
N-(3,5-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333178
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109328905
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109331667
N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109322838
N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333115

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109320680) is N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is CCCCNC(=O)c1cc(C)nc(NCCC(C)C)n1.
What is the InChIKey of N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is IFSXYRKBHGJBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-6-8-16-14(20)13-10-12(4)18-15(19-13)17-9-7-11(2)3/h10-11H,5-9H2,1-4H3,(H,16,20)(H,17,18,19).
What are the key properties of N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109320680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).