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

C10H13ClN6S — CID 63959472

IUPAC4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine
SMILESCSCCCNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H13ClN6S/c1-18-6-2-3-13-9-14-8(11)15-10(16-9)17-5-4-12-7-17/h4-5,7H,2-3,6H2,1H3,(H,13,14,15,16)
InChIKeyYVSKKVWLEVCVNF-UHFFFAOYSA-N
MW284.78 g/mol
LogP1.88
Rot. Bonds6

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

4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine (PubChem CID 63959472) has the molecular formula C10H13ClN6S and a molecular weight of 284.78 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine
PubChem CID63959472
Molecular FormulaC10H13ClN6S
Molecular Weight284.78 g/mol
Exact Mass284.06
IUPAC Name4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine
SMILESCSCCCNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H13ClN6S/c1-18-6-2-3-13-9-14-8(11)15-10(16-9)17-5-4-12-7-17/h4-5,7H,2-3,6H2,1H3,(H,13,14,15,16)
InChIKeyYVSKKVWLEVCVNF-UHFFFAOYSA-N
XLogP1.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine (CID 63959472) is 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine is CSCCCNc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is YVSKKVWLEVCVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6S/c1-18-6-2-3-13-9-14-8(11)15-10(16-9)17-5-4-12-7-17/h4-5,7H,2-3,6H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 284.78 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-(3-methylsulfanylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63959472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).