2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H19N3S2 — CID 60707023

IUPAC2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSC3CCCC3)nc(N)c2c1C
InChIInChI=1S/C14H19N3S2/c1-8-9(2)19-14-12(8)13(15)16-11(17-14)7-18-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyCHFTXKFSJUNJJC-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.07
Rot. Bonds3

About 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 60707023) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID60707023
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSC3CCCC3)nc(N)c2c1C
InChIInChI=1S/C14H19N3S2/c1-8-9(2)19-14-12(8)13(15)16-11(17-14)7-18-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyCHFTXKFSJUNJJC-UHFFFAOYSA-N
XLogP4.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 60707023) is 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CSC3CCCC3)nc(N)c2c1C.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CHFTXKFSJUNJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-8-9(2)19-14-12(8)13(15)16-11(17-14)7-18-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 60707023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).