2-(oxolan-2-yl)-1H-pyrimidine-6-thione

C8H10N2OS — CID 106476553

IUPAC2-(oxolan-2-yl)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(C2CCCO2)[nH]1
InChIInChI=1S/C8H10N2OS/c12-7-3-4-9-8(10-7)6-2-1-5-11-6/h3-4,6H,1-2,5H2,(H,9,10,12)
InChIKeyMKXZIFVBJGXYIB-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.99
Rot. Bonds1

About 2-(oxolan-2-yl)-1H-pyrimidine-6-thione

2-(oxolan-2-yl)-1H-pyrimidine-6-thione (PubChem CID 106476553) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1H-pyrimidine-6-thione
PubChem CID106476553
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-(oxolan-2-yl)-1H-pyrimidine-6-thione
SMILESS=c1ccnc(C2CCCO2)[nH]1
InChIInChI=1S/C8H10N2OS/c12-7-3-4-9-8(10-7)6-2-1-5-11-6/h3-4,6H,1-2,5H2,(H,9,10,12)
InChIKeyMKXZIFVBJGXYIB-UHFFFAOYSA-N
XLogP1.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.99
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-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457599
6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457628
6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 106475781
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-pyrimidine-6-thione
CID 106476362
2-(oxolan-2-ylmethyl)-1H-pyrimidine-6-thione
CID 106476379
2-(1-ethoxyethyl)-1H-pyrimidine-6-thione
CID 106476399
2-(1-ethoxypropyl)-1H-pyrimidine-6-thione
CID 106476411
2-(1-methoxybutyl)-1H-pyrimidine-6-thione
CID 106476414
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-6-thione
CID 106476456
2-(1-methoxypropyl)-1H-pyrimidine-6-thione
CID 106476491
2-(1-ethoxybutyl)-1H-pyrimidine-6-thione
CID 106476494
2-(2-methyloxolan-2-yl)-1H-pyrimidine-6-thione
CID 106476529

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(oxolan-2-yl)-1H-pyrimidine-6-thione (CID 106476553) is 2-(oxolan-2-yl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(oxolan-2-yl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(oxolan-2-yl)-1H-pyrimidine-6-thione is S=c1ccnc(C2CCCO2)[nH]1.
What is the InChIKey of 2-(oxolan-2-yl)-1H-pyrimidine-6-thione?
The InChIKey is MKXZIFVBJGXYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c12-7-3-4-9-8(10-7)6-2-1-5-11-6/h3-4,6H,1-2,5H2,(H,9,10,12).
What are the key properties of 2-(oxolan-2-yl)-1H-pyrimidine-6-thione?
2-(oxolan-2-yl)-1H-pyrimidine-6-thione has a molecular weight of 182.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).