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

C9H12N2OS — CID 106475781

IUPAC6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C9H12N2OS/c1-6-5-8(13)11-9(10-6)7-3-2-4-12-7/h5,7H,2-4H2,1H3,(H,10,11,13)
InChIKeyPLBNZTWKPKDQHS-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.30
Rot. Bonds1

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

6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475781) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475781
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C9H12N2OS/c1-6-5-8(13)11-9(10-6)7-3-2-4-12-7/h5,7H,2-4H2,1H3,(H,10,11,13)
InChIKeyPLBNZTWKPKDQHS-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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

6-(tert-butylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457590
6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457628
2-(1-ethoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475219
2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475256
2-(oxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475278
2-(2-methyloxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475510
2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475529
2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475619
6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106475626
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475643
2-(1-ethoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475654
2-(1-methoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475657

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (CID 106475781) is 6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CCCO2)[nH]1.
What is the InChIKey of 6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is PLBNZTWKPKDQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-5-8(13)11-9(10-6)7-3-2-4-12-7/h5,7H,2-4H2,1H3,(H,10,11,13).
What are the key properties of 6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 196.27 g/mol, XLogP of 2.30, 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-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).