4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one

C14H19N5O — CID 57063722

IUPAC4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
SMILESCCCCNc1ncn(Cc2ncccc2C)c(=O)n1
InChIInChI=1S/C14H19N5O/c1-3-4-7-16-13-17-10-19(14(20)18-13)9-12-11(2)6-5-8-15-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18,20)
InChIKeyOAONKIIBDSLPKH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds6

About 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one

4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one (PubChem CID 57063722) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
PubChem CID57063722
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
SMILESCCCCNc1ncn(Cc2ncccc2C)c(=O)n1
InChIInChI=1S/C14H19N5O/c1-3-4-7-16-13-17-10-19(14(20)18-13)9-12-11(2)6-5-8-15-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18,20)
InChIKeyOAONKIIBDSLPKH-UHFFFAOYSA-N
XLogP1.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
CID 57128477
azane;2-butyl-3-methylpyridine
CID 175305988
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 112651076
N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306339
1-[(3-methyl-2-pyridinyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017678
5,6-difluoro-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 116620901
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
2-hexyl-3-methylpyridine;methanesulfonic acid
CID 174850851
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The IUPAC name of 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one (CID 57063722) is 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The canonical SMILES for 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one is CCCCNc1ncn(Cc2ncccc2C)c(=O)n1.
What is the InChIKey of 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
The InChIKey is OAONKIIBDSLPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-4-7-16-13-17-10-19(14(20)18-13)9-12-11(2)6-5-8-15-12/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18,20).
What are the key properties of 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one?
4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one is sourced from PubChem (CID 57063722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).