4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine

C12H17N5S — CID 152634864

IUPAC4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(N)(C2CCCC2)N=C(c2cccs2)N1
InChIInChI=1S/C12H17N5S/c13-11-15-10(9-6-3-7-18-9)16-12(14,17-11)8-4-1-2-5-8/h3,6-8H,1-2,4-5,14H2,(H3,13,15,16,17)
InChIKeyZEHYPJNRXFLBTK-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.22
Rot. Bonds2

About 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine

4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine (PubChem CID 152634864) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine
PubChem CID152634864
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine
SMILESNC1=NC(N)(C2CCCC2)N=C(c2cccs2)N1
InChIInChI=1S/C12H17N5S/c13-11-15-10(9-6-3-7-18-9)16-12(14,17-11)8-4-1-2-5-8/h3,6-8H,1-2,4-5,14H2,(H3,13,15,16,17)
InChIKeyZEHYPJNRXFLBTK-UHFFFAOYSA-N
XLogP1.22
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine (CID 152634864) is 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine is NC1=NC(N)(C2CCCC2)N=C(c2cccs2)N1.
What is the InChIKey of 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is ZEHYPJNRXFLBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c13-11-15-10(9-6-3-7-18-9)16-12(14,17-11)8-4-1-2-5-8/h3,6-8H,1-2,4-5,14H2,(H3,13,15,16,17).
What are the key properties of 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine?
4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-thiophen-2-yl-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 152634864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).