2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C15H19N5O — CID 109296339

IUPAC2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCCCNc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C15H19N5O/c1-2-3-8-17-15-18-10-7-13(20-15)14(21)19-11-12-6-4-5-9-16-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyYUJOUURIZQMGQJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds7

About 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109296339) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109296339
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCCCCNc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C15H19N5O/c1-2-3-8-17-15-18-10-7-13(20-15)14(21)19-11-12-6-4-5-9-16-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,19,21)(H,17,18,20)
InChIKeyYUJOUURIZQMGQJ-UHFFFAOYSA-N
XLogP2.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
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

2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109296920
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307040
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
N-[(4-chlorophenyl)methyl]-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306058
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109296339) is 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CCCCNc1nccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is YUJOUURIZQMGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-3-8-17-15-18-10-7-13(20-15)14(21)19-11-12-6-4-5-9-16-12/h4-7,9-10H,2-3,8,11H2,1H3,(H,19,21)(H,17,18,20).
What are the key properties of 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).