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

C10H15ClN4S — CID 80889605

IUPAC4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(SCC2CCCC2)n1
InChIInChI=1S/C10H15ClN4S/c1-12-9-13-8(11)14-10(15-9)16-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyCVRDKOWOSMBRAT-UHFFFAOYSA-N
MW258.78 g/mol
LogP2.85
Rot. Bonds4

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

4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80889605) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80889605
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(SCC2CCCC2)n1
InChIInChI=1S/C10H15ClN4S/c1-12-9-13-8(11)14-10(15-9)16-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyCVRDKOWOSMBRAT-UHFFFAOYSA-N
XLogP2.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (CID 80889605) is 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(SCC2CCCC2)n1.
What is the InChIKey of 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is CVRDKOWOSMBRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c1-12-9-13-8(11)14-10(15-9)16-6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 258.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclopentylmethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).