4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine

C11H17ClN4S — CID 55177537

IUPAC4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(SCC2CCCC2)n1
InChIInChI=1S/C11H17ClN4S/c1-16(2)10-13-9(12)14-11(15-10)17-7-8-5-3-4-6-8/h8H,3-7H2,1-2H3
InChIKeyKIZAVDSVXFPASV-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.87
Rot. Bonds4

About 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 55177537) has the molecular formula C11H17ClN4S and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID55177537
Molecular FormulaC11H17ClN4S
Molecular Weight272.80 g/mol
Exact Mass272.09
IUPAC Name4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(SCC2CCCC2)n1
InChIInChI=1S/C11H17ClN4S/c1-16(2)10-13-9(12)14-11(15-10)17-7-8-5-3-4-6-8/h8H,3-7H2,1-2H3
InChIKeyKIZAVDSVXFPASV-UHFFFAOYSA-N
XLogP2.87
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 55177537) is 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(SCC2CCCC2)n1.
What is the InChIKey of 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is KIZAVDSVXFPASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4S/c1-16(2)10-13-9(12)14-11(15-10)17-7-8-5-3-4-6-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 272.80 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclopentylmethylsulfanyl)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55177537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).