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

C15H20N4S — CID 63867175

IUPAC4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2cccs2)nc(C2CCCCCC2)n1
InChIInChI=1S/C15H20N4S/c16-15-18-13(10-12-8-5-9-20-12)17-14(19-15)11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H2,16,17,18,19)
InChIKeyNRQIJGOIHVABGW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.54
Rot. Bonds3

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

4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63867175) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID63867175
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2cccs2)nc(C2CCCCCC2)n1
InChIInChI=1S/C15H20N4S/c16-15-18-13(10-12-8-5-9-20-12)17-14(19-15)11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H2,16,17,18,19)
InChIKeyNRQIJGOIHVABGW-UHFFFAOYSA-N
XLogP3.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
CID 63868359
4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
CID 63868061
4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83241447
4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 63868503
4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65143794
4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 63867001
4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885
4-cycloheptyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868763
4-cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-cyclohexyl-6-(cyclohexylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65144233
4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65140552
4-(cyclohexylsulfanylmethyl)-6-cyclopentyl-1,3,5-triazin-2-amine
CID 65144232

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine (CID 63867175) is 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine is Nc1nc(Cc2cccs2)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is NRQIJGOIHVABGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c16-15-18-13(10-12-8-5-9-20-12)17-14(19-15)11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H2,16,17,18,19).
What are the key properties of 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).