3-prop-2-enyl-4H-pyrimidine

C7H10N2 — CID 22448489

IUPAC3-prop-2-enyl-4H-pyrimidine
SMILESC=CCN1C=NC=CC1
InChIInChI=1S/C7H10N2/c1-2-5-9-6-3-4-8-7-9/h2-4,7H,1,5-6H2
InChIKeyXZIQJMWQAOMEBD-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.03
Rot. Bonds2

About 3-prop-2-enyl-4H-pyrimidine

3-prop-2-enyl-4H-pyrimidine (PubChem CID 22448489) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-prop-2-enyl-4H-pyrimidine.

Molecular Properties

Compound Name3-prop-2-enyl-4H-pyrimidine
PubChem CID22448489
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-prop-2-enyl-4H-pyrimidine
SMILESC=CCN1C=NC=CC1
InChIInChI=1S/C7H10N2/c1-2-5-9-6-3-4-8-7-9/h2-4,7H,1,5-6H2
InChIKeyXZIQJMWQAOMEBD-UHFFFAOYSA-N
XLogP1.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.03
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 3-prop-2-enyl-4H-pyrimidine?
The IUPAC name of 3-prop-2-enyl-4H-pyrimidine (CID 22448489) is 3-prop-2-enyl-4H-pyrimidine.
What is the SMILES notation for 3-prop-2-enyl-4H-pyrimidine?
The canonical SMILES for 3-prop-2-enyl-4H-pyrimidine is C=CCN1C=NC=CC1.
What is the InChIKey of 3-prop-2-enyl-4H-pyrimidine?
The InChIKey is XZIQJMWQAOMEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-5-9-6-3-4-8-7-9/h2-4,7H,1,5-6H2.
What are the key properties of 3-prop-2-enyl-4H-pyrimidine?
3-prop-2-enyl-4H-pyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-4H-pyrimidine is sourced from PubChem (CID 22448489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).