4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one

C16H12ClN3O — CID 155144701

IUPAC4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one
SMILESNc1nc(=O)n(-c2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C16H12ClN3O/c17-14-10-20(16(21)19-15(14)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,18,19,21)
InChIKeyUQRXFXDBUACANF-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.14
Rot. Bonds2

About 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one

4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one (PubChem CID 155144701) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one
PubChem CID155144701
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one
SMILESNc1nc(=O)n(-c2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C16H12ClN3O/c17-14-10-20(16(21)19-15(14)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,18,19,21)
InChIKeyUQRXFXDBUACANF-UHFFFAOYSA-N
XLogP3.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one (CID 155144701) is 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one is Nc1nc(=O)n(-c2ccc(-c3ccccc3)cc2)cc1Cl.
What is the InChIKey of 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one?
The InChIKey is UQRXFXDBUACANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-14-10-20(16(21)19-15(14)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,18,19,21).
What are the key properties of 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one?
4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one has a molecular weight of 297.75 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-1-(4-phenylphenyl)pyrimidin-2-one is sourced from PubChem (CID 155144701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).