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

C12H20N4S — CID 65140403

IUPAC4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CSC2CCCC2)n1
InChIInChI=1S/C12H20N4S/c1-2-5-10-14-11(16-12(13)15-10)8-17-9-6-3-4-7-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyIUSANTFWIDSAFJ-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.58
Rot. Bonds5

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

4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 65140403) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID65140403
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CSC2CCCC2)n1
InChIInChI=1S/C12H20N4S/c1-2-5-10-14-11(16-12(13)15-10)8-17-9-6-3-4-7-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyIUSANTFWIDSAFJ-UHFFFAOYSA-N
XLogP2.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazin-2-amine, 4-(2-(ethylthio)ethyl)-6-methoxy-
CID 199928
2,4,6-Tris(2-ethylsulfanylethyl)-1,3,5-triazine
CID 134914120
6-(5-Fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 167843935
6-(2-Methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 112681469
6-(2-Decylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 140274922
6-(2-Butylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 140274923
6-(2-Octadecylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 140274926
6-(2-Hexylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 140274936
6-(2-Pentylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 140274937
6-(2-Dodecylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 140274941
6-[2-(2-Methylpropylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 140274945
6-(2-Octylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 140274946

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine (CID 65140403) is 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(CSC2CCCC2)n1.
What is the InChIKey of 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is IUSANTFWIDSAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-5-10-14-11(16-12(13)15-10)8-17-9-6-3-4-7-9/h9H,2-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine?
4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 252.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65140403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).