2-phenyl-6-prop-2-enoxypyrimidin-4-amine

C13H13N3O — CID 112559862

IUPAC2-phenyl-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O/c1-2-8-17-12-9-11(14)15-13(16-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H2,14,15,16)
InChIKeyYHLFENKPTMUUNH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.29
Rot. Bonds4

About 2-phenyl-6-prop-2-enoxypyrimidin-4-amine

2-phenyl-6-prop-2-enoxypyrimidin-4-amine (PubChem CID 112559862) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-phenyl-6-prop-2-enoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-prop-2-enoxypyrimidin-4-amine
PubChem CID112559862
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-phenyl-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C13H13N3O/c1-2-8-17-12-9-11(14)15-13(16-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H2,14,15,16)
InChIKeyYHLFENKPTMUUNH-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenyl-6-prop-2-enoxypyrimidin-4-amine?
The IUPAC name of 2-phenyl-6-prop-2-enoxypyrimidin-4-amine (CID 112559862) is 2-phenyl-6-prop-2-enoxypyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-6-prop-2-enoxypyrimidin-4-amine?
The canonical SMILES for 2-phenyl-6-prop-2-enoxypyrimidin-4-amine is C=CCOc1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-prop-2-enoxypyrimidin-4-amine?
The InChIKey is YHLFENKPTMUUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-8-17-12-9-11(14)15-13(16-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H2,14,15,16).
What are the key properties of 2-phenyl-6-prop-2-enoxypyrimidin-4-amine?
2-phenyl-6-prop-2-enoxypyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-prop-2-enoxypyrimidin-4-amine is sourced from PubChem (CID 112559862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).