5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione

C9H14N2S — CID 106517843

IUPAC5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCc1c(CC(C)C)[nH]cnc1=S
InChIInChI=1S/C9H14N2S/c1-6(2)4-8-7(3)9(12)11-5-10-8/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyIINPVHRFHOVIPK-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.65
Rot. Bonds2

About 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione

5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106517843) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106517843
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCc1c(CC(C)C)[nH]cnc1=S
InChIInChI=1S/C9H14N2S/c1-6(2)4-8-7(3)9(12)11-5-10-8/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyIINPVHRFHOVIPK-UHFFFAOYSA-N
XLogP2.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.65
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

5-methyl-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidine-4-thione
CID 106522084
5-(2-methylpropyl)-1H-imidazol-4-ol
CID 57091779
6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481376
5-methyl-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514473
5-methyl-6-(1H-pyrrol-2-yl)-1H-pyrimidine-4-thione
CID 106523099
6-methyl-5-propyl-1H-pyrimidine-4-thione
CID 106515436
4-methyl-5-(2-methylpropyl)-1H-pyrazole
CID 3805989
2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 95456243
5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione
CID 130840982
5-propan-2-yl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106518441
(4-propan-2-yl-1H-imidazol-5-yl)methanol
CID 12615462
4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 135991796

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106517843) is 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione is Cc1c(CC(C)C)[nH]cnc1=S.
What is the InChIKey of 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is IINPVHRFHOVIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6(2)4-8-7(3)9(12)11-5-10-8/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 182.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106517843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).