6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione

C14H11N5O3 — CID 6017068

IUPAC6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione
SMILESCn1cc(/C=N\O)nc2c(=O)n(-c3ccccc3)c(=O)nc1-2
InChIInChI=1S/C14H11N5O3/c1-18-8-9(7-15-22)16-11-12(18)17-14(21)19(13(11)20)10-5-3-2-4-6-10/h2-8,22H,1H3/b15-7-
InChIKeyXWGOOGZGAMEPPH-CHHVJCJISA-N
MW297.27 g/mol
LogP0.24
Rot. Bonds2

About 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione

6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione (PubChem CID 6017068) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione.

Molecular Properties

Compound Name6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione
PubChem CID6017068
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione
SMILESCn1cc(/C=N\O)nc2c(=O)n(-c3ccccc3)c(=O)nc1-2
InChIInChI=1S/C14H11N5O3/c1-18-8-9(7-15-22)16-11-12(18)17-14(21)19(13(11)20)10-5-3-2-4-6-10/h2-8,22H,1H3/b15-7-
InChIKeyXWGOOGZGAMEPPH-CHHVJCJISA-N
XLogP0.24
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione?
The IUPAC name of 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione (CID 6017068) is 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione.
What is the SMILES notation for 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione?
The canonical SMILES for 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione is Cn1cc(/C=N\O)nc2c(=O)n(-c3ccccc3)c(=O)nc1-2.
What is the InChIKey of 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione?
The InChIKey is XWGOOGZGAMEPPH-CHHVJCJISA-N. The full InChI is InChI=1S/C14H11N5O3/c1-18-8-9(7-15-22)16-11-12(18)17-14(21)19(13(11)20)10-5-3-2-4-6-10/h2-8,22H,1H3/b15-7-.
What are the key properties of 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione?
6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione has a molecular weight of 297.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-hydroxyiminomethyl]-8-methyl-3-phenylpteridine-2,4-dione is sourced from PubChem (CID 6017068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).