4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C12H17ClN6 — CID 64596820

IUPAC4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)C(C)CNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17ClN6/c1-8(2)9(3)6-15-11-16-10(13)17-12(18-11)19-5-4-14-7-19/h4-5,7-9H,6H2,1-3H3,(H,15,16,17,18)
InChIKeyFEARGVSLKDZQDD-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.41
Rot. Bonds5

About 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 64596820) has the molecular formula C12H17ClN6 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID64596820
Molecular FormulaC12H17ClN6
Molecular Weight280.76 g/mol
Exact Mass280.12
IUPAC Name4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)C(C)CNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17ClN6/c1-8(2)9(3)6-15-11-16-10(13)17-12(18-11)19-5-4-14-7-19/h4-5,7-9H,6H2,1-3H3,(H,15,16,17,18)
InChIKeyFEARGVSLKDZQDD-UHFFFAOYSA-N
XLogP2.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
N-but-3-ynyl-4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106194902
4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
CID 114156803
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 64642088
N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 115356878
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethylurea
CID 83114169
4-chloro-6-imidazol-1-yl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330775
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 105419825
4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
CID 62864635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 64596820) is 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is CC(C)C(C)CNc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FEARGVSLKDZQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6/c1-8(2)9(3)6-15-11-16-10(13)17-12(18-11)19-5-4-14-7-19/h4-5,7-9H,6H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 280.76 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 64596820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).