6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione

C9H12N2S — CID 106516158

IUPAC6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione
SMILESCCc1c(C2CC2)[nH]cnc1=S
InChIInChI=1S/C9H12N2S/c1-2-7-8(6-3-4-6)10-5-11-9(7)12/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyGUXXCCDEBKSGKR-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.58
Rot. Bonds2

About 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione

6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione (PubChem CID 106516158) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione
PubChem CID106516158
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione
SMILESCCc1c(C2CC2)[nH]cnc1=S
InChIInChI=1S/C9H12N2S/c1-2-7-8(6-3-4-6)10-5-11-9(7)12/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyGUXXCCDEBKSGKR-UHFFFAOYSA-N
XLogP2.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.58
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-propyl-3,4-dihydropyrimidine-4-thione
CID 168016916
5-Fluoro-6-(propan-2-yl)-3,4-dihydropyrimidine-4-thione
CID 168016926
6-Cyclopropyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017022
5-Fluoro-6-(2-methylpropyl)-3,4-dihydropyrimidine-4-thione
CID 168017065
6-(Cyclopropylmethyl)-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017279
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-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477939
6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478449
5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 94076921
6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 94076922
5-bromo-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106480364

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione (CID 106516158) is 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione is CCc1c(C2CC2)[nH]cnc1=S.
What is the InChIKey of 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione?
The InChIKey is GUXXCCDEBKSGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-7-8(6-3-4-6)10-5-11-9(7)12/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione?
6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione has a molecular weight of 180.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106516158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).