4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one

C19H17N3O — CID 21446833

IUPAC4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one
SMILESNc1ccn(C/C(=C\c2ccccc2)c2ccccc2)c(=O)n1
InChIInChI=1S/C19H17N3O/c20-18-11-12-22(19(23)21-18)14-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-13H,14H2,(H2,20,21,23)/b17-13+
InChIKeyHKCDBCKKCBQYKY-GHRIWEEISA-N
MW303.37 g/mol
LogP3.07
Rot. Bonds4

About 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one

4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one (PubChem CID 21446833) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one
PubChem CID21446833
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one
SMILESNc1ccn(C/C(=C\c2ccccc2)c2ccccc2)c(=O)n1
InChIInChI=1S/C19H17N3O/c20-18-11-12-22(19(23)21-18)14-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-13H,14H2,(H2,20,21,23)/b17-13+
InChIKeyHKCDBCKKCBQYKY-GHRIWEEISA-N
XLogP3.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one (CID 21446833) is 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one is Nc1ccn(C/C(=C\c2ccccc2)c2ccccc2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one?
The InChIKey is HKCDBCKKCBQYKY-GHRIWEEISA-N. The full InChI is InChI=1S/C19H17N3O/c20-18-11-12-22(19(23)21-18)14-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-13H,14H2,(H2,20,21,23)/b17-13+.
What are the key properties of 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one?
4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one has a molecular weight of 303.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(Z)-2,3-diphenylprop-2-enyl]pyrimidin-2-one is sourced from PubChem (CID 21446833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).