5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione

C9H14N2S — CID 94077026

IUPAC5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C(C)C)nc(=S)c1C
InChIInChI=1S/C9H14N2S/c1-5(2)8-10-7(4)6(3)9(12)11-8/h5H,1-4H3,(H,10,11,12)
InChIKeyWDZODJIYDFKTBY-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.88
Rot. Bonds1

About 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione

5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 94077026) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID94077026
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C(C)C)nc(=S)c1C
InChIInChI=1S/C9H14N2S/c1-5(2)8-10-7(4)6(3)9(12)11-8/h5H,1-4H3,(H,10,11,12)
InChIKeyWDZODJIYDFKTBY-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.88
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

2-Isopropyl-6-methylpyrimidine-4-thiol
CID 7131471
5,6-dimethyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106476606
5,6-dimethyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106476636
2-Ethyl-4-mercapto-6-methylpyrimidine-5-carbonitrile
CID 25536082
2-Cyclopropyl-4-mercapto-6-methylpyrimidine-5-carbonitrile
CID 28818768
2,5,6-trimethyl-1H-pyrimidine-4-thione
CID 53976269
5-amino-2,6-dimethyl-1H-pyrimidine-4-thione
CID 83668811
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
6-methyl-2-(2-methylpropyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 138676979
2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 68001654
5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 82505499
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione (CID 94077026) is 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(C(C)C)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is WDZODJIYDFKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-5(2)8-10-7(4)6(3)9(12)11-8/h5H,1-4H3,(H,10,11,12).
What are the key properties of 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione?
5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 182.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 94077026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).