2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile

C10H11N3S — CID 63695857

IUPAC2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1ccncn1
InChIInChI=1S/C10H11N3S/c11-6-8-2-1-3-9(8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3H2
InChIKeyLFUNYBWBDYWJPD-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.26
Rot. Bonds2

About 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile

2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile (PubChem CID 63695857) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile
PubChem CID63695857
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Sc1ccncn1
InChIInChI=1S/C10H11N3S/c11-6-8-2-1-3-9(8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3H2
InChIKeyLFUNYBWBDYWJPD-UHFFFAOYSA-N
XLogP2.26
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile?
The IUPAC name of 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile (CID 63695857) is 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile is N#CC1CCCC1Sc1ccncn1.
What is the InChIKey of 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile?
The InChIKey is LFUNYBWBDYWJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-6-8-2-1-3-9(8)14-10-4-5-12-7-13-10/h4-5,7-9H,1-3H2.
What are the key properties of 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile?
2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile has a molecular weight of 205.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylsulfanylcyclopentane-1-carbonitrile is sourced from PubChem (CID 63695857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).