4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride

C15H21ClN4O — CID 20563434

IUPAC4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride
SMILESCCCCNc1ncn(-c2c(C)cccc2C)c(=O)n1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-4-5-9-16-14-17-10-19(15(20)18-14)13-11(2)7-6-8-12(13)3;/h6-8,10H,4-5,9H2,1-3H3,(H,16,18,20);1H
InChIKeyRCRMPYHWASHHJT-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.88
Rot. Bonds5

About 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride

4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride (PubChem CID 20563434) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride
PubChem CID20563434
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride
SMILESCCCCNc1ncn(-c2c(C)cccc2C)c(=O)n1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-4-5-9-16-14-17-10-19(15(20)18-14)13-11(2)7-6-8-12(13)3;/h6-8,10H,4-5,9H2,1-3H3,(H,16,18,20);1H
InChIKeyRCRMPYHWASHHJT-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(butylamino)-1-[(3-methyl-2-pyridinyl)methyl]-1,3,5-triazin-2-one
CID 57063722
4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one
CID 20563442
2-N-butyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883006
1-(2,6-dimethylphenyl)-6-ethyl-4-(2-methylhydrazinyl)-1,3,5-triazin-2-one
CID 54001530
2-(butylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109296413
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
2-[[4-(benzimidazol-1-yl)-6-(butylamino)-1,3,5-triazin-2-yl]amino]benzo[de]isoquinoline-1,3-dione
CID 166625127
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
2-(butylamino)-1-methylquinazolin-4-one
CID 10513705

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride?
The IUPAC name of 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride (CID 20563434) is 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride.
What is the SMILES notation for 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride?
The canonical SMILES for 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride is CCCCNc1ncn(-c2c(C)cccc2C)c(=O)n1.Cl.
What is the InChIKey of 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride?
The InChIKey is RCRMPYHWASHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-4-5-9-16-14-17-10-19(15(20)18-14)13-11(2)7-6-8-12(13)3;/h6-8,10H,4-5,9H2,1-3H3,(H,16,18,20);1H.
What are the key properties of 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride?
4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-1-(2,6-dimethylphenyl)-1,3,5-triazin-2-one;hydrochloride is sourced from PubChem (CID 20563434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).