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

C10H16N2S — CID 106476766

IUPAC2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCC(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2S/c1-5-6(2)9-11-8(4)7(3)10(13)12-9/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyXLOLCXJQNOKPRD-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.27
Rot. Bonds2

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

2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476766) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476766
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCC(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2S/c1-5-6(2)9-11-8(4)7(3)10(13)12-9/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyXLOLCXJQNOKPRD-UHFFFAOYSA-N
XLogP3.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.27
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-methyl-6-sulfanylpyrimidine-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-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
5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
CID 82505499
5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077026
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
6-Ethyl-2-isopropyl-5-methyl-pyrimidine-4-thiol
CID 94077030

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476766) is 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione is CCC(C)c1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is XLOLCXJQNOKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-5-6(2)9-11-8(4)7(3)10(13)12-9/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione?
2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 196.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).