4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine

C15H18N4S — CID 65143793

IUPAC4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2ccccc2)nc(C2CCCC2)n1
InChIInChI=1S/C15H18N4S/c16-15-18-13(10-20-12-8-2-1-3-9-12)17-14(19-15)11-6-4-5-7-11/h1-3,8-9,11H,4-7,10H2,(H2,16,17,18,19)
InChIKeyGTYTULMSWJQYSN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.40
Rot. Bonds4

About 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine

4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 65143793) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID65143793
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2ccccc2)nc(C2CCCC2)n1
InChIInChI=1S/C15H18N4S/c16-15-18-13(10-20-12-8-2-1-3-9-12)17-14(19-15)11-6-4-5-7-11/h1-3,8-9,11H,4-7,10H2,(H2,16,17,18,19)
InChIKeyGTYTULMSWJQYSN-UHFFFAOYSA-N
XLogP3.40
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 65143793) is 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine is Nc1nc(CSc2ccccc2)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is GTYTULMSWJQYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c16-15-18-13(10-20-12-8-2-1-3-9-12)17-14(19-15)11-6-4-5-7-11/h1-3,8-9,11H,4-7,10H2,(H2,16,17,18,19).
What are the key properties of 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65143793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).