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

C8H12N2S — CID 106477939

IUPAC6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]cnc(=S)c1C(C)C
InChIInChI=1S/C8H12N2S/c1-5(2)7-6(3)9-4-10-8(7)11/h4-5H,1-3H3,(H,9,10,11)
InChIKeyKGCYDGPRJGYPQH-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.57
Rot. Bonds1

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

6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477939) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477939
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]cnc(=S)c1C(C)C
InChIInChI=1S/C8H12N2S/c1-5(2)7-6(3)9-4-10-8(7)11/h4-5H,1-3H3,(H,9,10,11)
InChIKeyKGCYDGPRJGYPQH-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

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
6-(2,2-Dimethylpropyl)-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017360
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
5-chloro-6-propan-2-yl-1H-pyrimidine-4-thione
CID 18700285
2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
5,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 60071327
5-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 144453057
6-Methyl-5-propan-2-yl-1,4-dihydropyrimidine
CID 169639730
5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 94076921
6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 94076922

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477939) is 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]cnc(=S)c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is KGCYDGPRJGYPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5(2)7-6(3)9-4-10-8(7)11/h4-5H,1-3H3,(H,9,10,11).
What are the key properties of 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
6-methyl-5-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 6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).