6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione

C9H12N2OS — CID 106475741

IUPAC6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C9H12N2OS/c1-6-4-8(13)11-9(10-6)7-2-3-12-5-7/h4,7H,2-3,5H2,1H3,(H,10,11,13)
InChIKeySYWLMNRSCGRCTI-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.95
Rot. Bonds1

About 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione

6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106475741) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
PubChem CID106475741
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C9H12N2OS/c1-6-4-8(13)11-9(10-6)7-2-3-12-5-7/h4,7H,2-3,5H2,1H3,(H,10,11,13)
InChIKeySYWLMNRSCGRCTI-UHFFFAOYSA-N
XLogP1.95
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.95
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-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144
2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475235
2-(3-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475333
2-(oxolan-3-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475489
2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475589
6-methyl-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106475705
6-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
CID 106475799
6-tert-butyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106475995
6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106476239
5,6-dimethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106476762
5-ethyl-6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106477013
6-(methoxymethyl)-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106477768

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione (CID 106475741) is 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CCOC2)[nH]1.
What is the InChIKey of 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is SYWLMNRSCGRCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-4-8(13)11-9(10-6)7-2-3-12-5-7/h4,7H,2-3,5H2,1H3,(H,10,11,13).
What are the key properties of 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 196.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).