2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione

C10H12N2S — CID 173440992

IUPAC2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione
SMILESC=CCc1cc(=S)nc(CC=C)[nH]1
InChIInChI=1S/C10H12N2S/c1-3-5-8-7-10(13)12-9(11-8)6-4-2/h3-4,7H,1-2,5-6H2,(H,11,12,13)
InChIKeyGXNPHPVCGDYSOE-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.60
Rot. Bonds4

About 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione

2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione (PubChem CID 173440992) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione
PubChem CID173440992
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione
SMILESC=CCc1cc(=S)nc(CC=C)[nH]1
InChIInChI=1S/C10H12N2S/c1-3-5-8-7-10(13)12-9(11-8)6-4-2/h3-4,7H,1-2,5-6H2,(H,11,12,13)
InChIKeyGXNPHPVCGDYSOE-UHFFFAOYSA-N
XLogP2.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione (CID 173440992) is 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione is C=CCc1cc(=S)nc(CC=C)[nH]1.
What is the InChIKey of 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione?
The InChIKey is GXNPHPVCGDYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-5-8-7-10(13)12-9(11-8)6-4-2/h3-4,7H,1-2,5-6H2,(H,11,12,13).
What are the key properties of 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione?
2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione has a molecular weight of 192.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(prop-2-enyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 173440992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).