2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

C11H16N2OS — CID 106477585

IUPAC2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCCC2)[nH]1
InChIInChI=1S/C11H16N2OS/c1-14-7-9-6-10(15)13-11(12-9)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyFBSAJJWBCCBEDS-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.94
Rot. Bonds3

About 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione

2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477585) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477585
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCCC2)[nH]1
InChIInChI=1S/C11H16N2OS/c1-14-7-9-6-10(15)13-11(12-9)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyFBSAJJWBCCBEDS-UHFFFAOYSA-N
XLogP2.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477585) is 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is FBSAJJWBCCBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-14-7-9-6-10(15)13-11(12-9)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).