5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione

C8H12N2S — CID 106517881

IUPAC5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1c(C(C)C)[nH]cnc1=S
InChIInChI=1S/C8H12N2S/c1-5(2)7-6(3)8(11)10-4-9-7/h4-5H,1-3H3,(H,9,10,11)
InChIKeyJQYZGWYNRIDRPA-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.57
Rot. Bonds1

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

5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106517881) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106517881
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1c(C(C)C)[nH]cnc1=S
InChIInChI=1S/C8H12N2S/c1-5(2)7-6(3)8(11)10-4-9-7/h4-5H,1-3H3,(H,9,10,11)
InChIKeyJQYZGWYNRIDRPA-UHFFFAOYSA-N
XLogP2.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.57
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-Ethyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 25197221
5-Fluoro-6-propyl-3,4-dihydropyrimidine-4-thione
CID 168016916
5-Fluoro-6-(propan-2-yl)-3,4-dihydropyrimidine-4-thione
CID 168016926
5-Fluoro-6-(2-methylpropyl)-3,4-dihydropyrimidine-4-thione
CID 168017065
5-Fluoro-6-(pentan-3-yl)-3,4-dihydropyrimidine-4-thione
CID 168017391
6-(Butan-2-yl)-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017484
6-Tert-butyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017627
5-chloro-6-propan-2-yl-1H-pyrimidine-4-thione
CID 18700285
5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071758
5,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 60071327
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 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106517881) is 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione is Cc1c(C(C)C)[nH]cnc1=S.
What is the InChIKey of 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is JQYZGWYNRIDRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5(2)7-6(3)8(11)10-4-9-7/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione?
5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 168.26 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106517881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).