1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine

C10H14N2S — CID 67924675

IUPAC1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine
SMILESC=CCSC1N=CC=CN1CC=C
InChIInChI=1S/C10H14N2S/c1-3-7-12-8-5-6-11-10(12)13-9-4-2/h3-6,8,10H,1-2,7,9H2
InChIKeyXKMJBZCDOSKDRW-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.28
Rot. Bonds5

About 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine

1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine (PubChem CID 67924675) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine.

Molecular Properties

Compound Name1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine
PubChem CID67924675
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine
SMILESC=CCSC1N=CC=CN1CC=C
InChIInChI=1S/C10H14N2S/c1-3-7-12-8-5-6-11-10(12)13-9-4-2/h3-6,8,10H,1-2,7,9H2
InChIKeyXKMJBZCDOSKDRW-UHFFFAOYSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine?
The IUPAC name of 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine (CID 67924675) is 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine.
What is the SMILES notation for 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine?
The canonical SMILES for 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine is C=CCSC1N=CC=CN1CC=C.
What is the InChIKey of 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine?
The InChIKey is XKMJBZCDOSKDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-7-12-8-5-6-11-10(12)13-9-4-2/h3-6,8,10H,1-2,7,9H2.
What are the key properties of 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine?
1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine has a molecular weight of 194.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-prop-2-enylsulfanyl-2H-pyrimidine is sourced from PubChem (CID 67924675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).