2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C11H14N2OS — CID 106477521

IUPAC2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(C2CCOC2)[nH]c2c1CCC2
InChIInChI=1S/C11H14N2OS/c15-11-8-2-1-3-9(8)12-10(13-11)7-4-5-14-6-7/h7H,1-6H2,(H,12,13,15)
InChIKeyCWHUFUHKARVOOM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.13
Rot. Bonds1

About 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477521) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477521
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(C2CCOC2)[nH]c2c1CCC2
InChIInChI=1S/C11H14N2OS/c15-11-8-2-1-3-9(8)12-10(13-11)7-4-5-14-6-7/h7H,1-6H2,(H,12,13,15)
InChIKeyCWHUFUHKARVOOM-UHFFFAOYSA-N
XLogP2.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477373
2-[2-(2,2-Difluoroethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477374
5-ethyl-6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106477013
5-ethyl-6-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
CID 106477076
2-(oxolan-3-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477263
2-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477324
2-(3-Methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477360
2-[2-(2-Methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477390
2-(Oxolan-2-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477395
2-(2-Methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477464
2-(Oxan-4-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477482
2-(Oxan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477483

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477521) is 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is S=c1nc(C2CCOC2)[nH]c2c1CCC2.
What is the InChIKey of 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is CWHUFUHKARVOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c15-11-8-2-1-3-9(8)12-10(13-11)7-4-5-14-6-7/h7H,1-6H2,(H,12,13,15).
What are the key properties of 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 222.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).