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

C10H14N2S — CID 106516180

IUPAC6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione
SMILESCCCc1c(C2CC2)[nH]cnc1=S
InChIInChI=1S/C10H14N2S/c1-2-3-8-9(7-4-5-7)11-6-12-10(8)13/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyOWFSSKPMDUFFSN-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.97
Rot. Bonds3

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

6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione (PubChem CID 106516180) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione
PubChem CID106516180
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione
SMILESCCCc1c(C2CC2)[nH]cnc1=S
InChIInChI=1S/C10H14N2S/c1-2-3-8-9(7-4-5-7)11-6-12-10(8)13/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyOWFSSKPMDUFFSN-UHFFFAOYSA-N
XLogP2.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.97
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

5,6,7,8-Tetrahydro-4-quinazolinethiol
CID 45051547
6-Butyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168016968
6-Cyclopropyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017022
6-Cyclobutyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017032
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
1,5,6,7-Tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 1408783
6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477939
6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478449
5-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 144453057

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione (CID 106516180) is 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione is CCCc1c(C2CC2)[nH]cnc1=S.
What is the InChIKey of 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione?
The InChIKey is OWFSSKPMDUFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-3-8-9(7-4-5-7)11-6-12-10(8)13/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione?
6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione has a molecular weight of 194.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106516180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).