6-methyl-5-propyl-1H-pyrimidine-4-thione

C8H12N2S — CID 106515436

IUPAC6-methyl-5-propyl-1H-pyrimidine-4-thione
SMILESCCCc1c(C)[nH]cnc1=S
InChIInChI=1S/C8H12N2S/c1-3-4-7-6(2)9-5-10-8(7)11/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyMTFKMFALICTAIQ-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.40
Rot. Bonds2

About 6-methyl-5-propyl-1H-pyrimidine-4-thione

6-methyl-5-propyl-1H-pyrimidine-4-thione (PubChem CID 106515436) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 6-methyl-5-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-5-propyl-1H-pyrimidine-4-thione
PubChem CID106515436
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name6-methyl-5-propyl-1H-pyrimidine-4-thione
SMILESCCCc1c(C)[nH]cnc1=S
InChIInChI=1S/C8H12N2S/c1-3-4-7-6(2)9-5-10-8(7)11/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyMTFKMFALICTAIQ-UHFFFAOYSA-N
XLogP2.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.40
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-(3,4-dimethylphenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106516511
6-(furan-2-yl)-5-propyl-1H-pyrimidine-4-thione
CID 106518158
6-(2,4-difluorophenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106517018
6-(2-chloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106520993
5-ethyl-6-(4-methylphenyl)-1H-pyrimidine-4-thione
CID 106513870
5-propyl-6-quinolin-3-yl-1H-pyrimidine-4-thione
CID 106513743
methyl 3-fluoro-5-(5-propyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzoate
CID 106522919
4-heptyl-5-methyl-1H-imidazole
CID 89069470
2-propyl-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
CID 130007317
1-(5-methyl-1H-imidazol-4-yl)propane-1-thione
CID 54568061
5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione
CID 106884726
4-propan-2-yl-5-propyl-1H-pyrimidin-6-one
CID 136692838

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-5-propyl-1H-pyrimidine-4-thione (CID 106515436) is 6-methyl-5-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-5-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-5-propyl-1H-pyrimidine-4-thione is CCCc1c(C)[nH]cnc1=S.
What is the InChIKey of 6-methyl-5-propyl-1H-pyrimidine-4-thione?
The InChIKey is MTFKMFALICTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-3-4-7-6(2)9-5-10-8(7)11/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 6-methyl-5-propyl-1H-pyrimidine-4-thione?
6-methyl-5-propyl-1H-pyrimidine-4-thione has a molecular weight of 168.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).