6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one

C16H13N3O2 — CID 910704

IUPAC6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one
SMILES[H]/N=c1/n(-c2ccccc2)c(O)cc(=O)n1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c17-16-18(12-7-3-1-4-8-12)14(20)11-15(21)19(16)13-9-5-2-6-10-13/h1-11,17,20H/b17-16-
InChIKeyAWTHYBUVAZBHSN-MSUUIHNZSA-N
MW279.30 g/mol
LogP1.81
Rot. Bonds2

About 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one

6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one (PubChem CID 910704) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one
PubChem CID910704
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one
SMILES[H]/N=c1/n(-c2ccccc2)c(O)cc(=O)n1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c17-16-18(12-7-3-1-4-8-12)14(20)11-15(21)19(16)13-9-5-2-6-10-13/h1-11,17,20H/b17-16-
InChIKeyAWTHYBUVAZBHSN-MSUUIHNZSA-N
XLogP1.81
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one (CID 910704) is 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one is [H]/N=c1/n(-c2ccccc2)c(O)cc(=O)n1-c1ccccc1.
What is the InChIKey of 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one?
The InChIKey is AWTHYBUVAZBHSN-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-16-18(12-7-3-1-4-8-12)14(20)11-15(21)19(16)13-9-5-2-6-10-13/h1-11,17,20H/b17-16-.
What are the key properties of 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one?
6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one has a molecular weight of 279.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-imino-1,3-diphenylpyrimidin-4-one is sourced from PubChem (CID 910704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).