ethane;6-methyl-1H-pyrimidine-4-thione

C7H12N2S — CID 145330357

IUPACethane;6-methyl-1H-pyrimidine-4-thione
SMILESCC.Cc1cc(=S)nc[nH]1
InChIInChI=1S/C5H6N2S.C2H6/c1-4-2-5(8)7-3-6-4;1-2/h2-3H,1H3,(H,6,7,8);1-2H3
InChIKeyOKYLPKCGIICAEP-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.47
Rot. Bonds

About ethane;6-methyl-1H-pyrimidine-4-thione

ethane;6-methyl-1H-pyrimidine-4-thione (PubChem CID 145330357) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is ethane;6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Nameethane;6-methyl-1H-pyrimidine-4-thione
PubChem CID145330357
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Nameethane;6-methyl-1H-pyrimidine-4-thione
SMILESCC.Cc1cc(=S)nc[nH]1
InChIInChI=1S/C5H6N2S.C2H6/c1-4-2-5(8)7-3-6-4;1-2/h2-3H,1H3,(H,6,7,8);1-2H3
InChIKeyOKYLPKCGIICAEP-UHFFFAOYSA-N
XLogP2.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-3,4-dihydropyrimidine-4-thione
CID 4557596
2-Amino-6-methylpyrimidine-4-thiol
CID 2781477
6-(difluoromethyl)-1H-pyrimidine-4-thione
CID 172621599
5-Fluoro-6-methylpyrimidine-4-thiol
CID 108150601
5-amino-6-methylpyrimidine-4(1H)-thione
CID 3887703
6-Methyl-1,4-dihydropyrimidine
CID 19748724
2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488478
5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071758
6-Propylpyrimidine-4-thiol
CID 52004866
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
6-ethyl-1H-pyrimidine-4-thione
CID 61236035
6-(Propan-2-yl)pyrimidine-4-thiol
CID 61240348

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of ethane;6-methyl-1H-pyrimidine-4-thione (CID 145330357) is ethane;6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for ethane;6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for ethane;6-methyl-1H-pyrimidine-4-thione is CC.Cc1cc(=S)nc[nH]1.
What is the InChIKey of ethane;6-methyl-1H-pyrimidine-4-thione?
The InChIKey is OKYLPKCGIICAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S.C2H6/c1-4-2-5(8)7-3-6-4;1-2/h2-3H,1H3,(H,6,7,8);1-2H3.
What are the key properties of ethane;6-methyl-1H-pyrimidine-4-thione?
ethane;6-methyl-1H-pyrimidine-4-thione has a molecular weight of 156.25 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 145330357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).