5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine

C13H17N3 — CID 70512497

IUPAC5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESC=CCN1CC(c2ccccc2)CN=C1N
InChIInChI=1S/C13H17N3/c1-2-8-16-10-12(9-15-13(16)14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H2,14,15)
InChIKeyMVRXHRLDJABLBU-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.59
Rot. Bonds3

About 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine

5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 70512497) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID70512497
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESC=CCN1CC(c2ccccc2)CN=C1N
InChIInChI=1S/C13H17N3/c1-2-8-16-10-12(9-15-13(16)14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H2,14,15)
InChIKeyMVRXHRLDJABLBU-UHFFFAOYSA-N
XLogP1.59
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
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 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 70512497) is 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine is C=CCN1CC(c2ccccc2)CN=C1N.
What is the InChIKey of 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is MVRXHRLDJABLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-8-16-10-12(9-15-13(16)14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H2,14,15).
What are the key properties of 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine?
5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 70512497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).