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

C7H10N2S — CID 174379889

IUPAC1-prop-2-enylsulfanyl-2H-pyrimidine
SMILESC=CCSN1C=CC=NC1
InChIInChI=1S/C7H10N2S/c1-2-6-10-9-5-3-4-8-7-9/h2-5H,1,6-7H2
InChIKeyWMYVSGASCDQLKB-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.68
Rot. Bonds3

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

1-prop-2-enylsulfanyl-2H-pyrimidine (PubChem CID 174379889) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-prop-2-enylsulfanyl-2H-pyrimidine.

Molecular Properties

Compound Name1-prop-2-enylsulfanyl-2H-pyrimidine
PubChem CID174379889
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-prop-2-enylsulfanyl-2H-pyrimidine
SMILESC=CCSN1C=CC=NC1
InChIInChI=1S/C7H10N2S/c1-2-6-10-9-5-3-4-8-7-9/h2-5H,1,6-7H2
InChIKeyWMYVSGASCDQLKB-UHFFFAOYSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanyl-2H-pyrimidine?
The IUPAC name of 1-prop-2-enylsulfanyl-2H-pyrimidine (CID 174379889) is 1-prop-2-enylsulfanyl-2H-pyrimidine.
What is the SMILES notation for 1-prop-2-enylsulfanyl-2H-pyrimidine?
The canonical SMILES for 1-prop-2-enylsulfanyl-2H-pyrimidine is C=CCSN1C=CC=NC1.
What is the InChIKey of 1-prop-2-enylsulfanyl-2H-pyrimidine?
The InChIKey is WMYVSGASCDQLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-6-10-9-5-3-4-8-7-9/h2-5H,1,6-7H2.
What are the key properties of 1-prop-2-enylsulfanyl-2H-pyrimidine?
1-prop-2-enylsulfanyl-2H-pyrimidine has a molecular weight of 154.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanyl-2H-pyrimidine is sourced from PubChem (CID 174379889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).