4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine

C16H26N4S — CID 65140552

IUPAC4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CSC2CCCC2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H26N4S/c17-16-19-14(11-21-13-9-5-6-10-13)18-15(20-16)12-7-3-1-2-4-8-12/h12-13H,1-11H2,(H2,17,18,19,20)
InChIKeyHOWIGAXTJZBMRS-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.07
Rot. Bonds4

About 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 65140552) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID65140552
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CSC2CCCC2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H26N4S/c17-16-19-14(11-21-13-9-5-6-10-13)18-15(20-16)12-7-3-1-2-4-8-12/h12-13H,1-11H2,(H2,17,18,19,20)
InChIKeyHOWIGAXTJZBMRS-UHFFFAOYSA-N
XLogP4.07
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyl-6-(cyclohexylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65144233
4-(cyclohexylsulfanylmethyl)-6-cyclopentyl-1,3,5-triazin-2-amine
CID 65144232
4-cycloheptyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63868369
4-cyclopentyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63867162
4-cyclohexyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65129791
4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65143794
4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885
4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 65140403
4-cycloheptyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868763
4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65143793
4-cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964959

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 65140552) is 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine is Nc1nc(CSC2CCCC2)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is HOWIGAXTJZBMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c17-16-19-14(11-21-13-9-5-6-10-13)18-15(20-16)12-7-3-1-2-4-8-12/h12-13H,1-11H2,(H2,17,18,19,20).
What are the key properties of 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 306.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65140552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).