2-prop-2-enylpyrimidine

C7H8N2 — CID 20526273

IUPAC2-prop-2-enylpyrimidine
SMILESC=CCc1ncccn1
InChIInChI=1S/C7H8N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5-6H,1,4H2
InChIKeyXUVFNNPRMWSPJC-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.21
Rot. Bonds2

About 2-prop-2-enylpyrimidine

2-prop-2-enylpyrimidine (PubChem CID 20526273) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-prop-2-enylpyrimidine.

Molecular Properties

Compound Name2-prop-2-enylpyrimidine
PubChem CID20526273
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-prop-2-enylpyrimidine
SMILESC=CCc1ncccn1
InChIInChI=1S/C7H8N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5-6H,1,4H2
InChIKeyXUVFNNPRMWSPJC-UHFFFAOYSA-N
XLogP1.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-prop-2-enylpyrimidine?
The IUPAC name of 2-prop-2-enylpyrimidine (CID 20526273) is 2-prop-2-enylpyrimidine.
What is the SMILES notation for 2-prop-2-enylpyrimidine?
The canonical SMILES for 2-prop-2-enylpyrimidine is C=CCc1ncccn1.
What is the InChIKey of 2-prop-2-enylpyrimidine?
The InChIKey is XUVFNNPRMWSPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-7-8-5-3-6-9-7/h2-3,5-6H,1,4H2.
What are the key properties of 2-prop-2-enylpyrimidine?
2-prop-2-enylpyrimidine has a molecular weight of 120.15 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpyrimidine is sourced from PubChem (CID 20526273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).