2,7-diamino-6-phenyl-3H-pteridin-4-one

C12H10N6O — CID 135565029

IUPAC2,7-diamino-6-phenyl-3H-pteridin-4-one
SMILESNc1nc2nc(N)c(-c3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C12H10N6O/c13-9-7(6-4-2-1-3-5-6)15-8-10(16-9)17-12(14)18-11(8)19/h1-5H,(H5,13,14,16,17,18,19)
InChIKeyUDZYJMZMGMKNJZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.54
Rot. Bonds1

About 2,7-diamino-6-phenyl-3H-pteridin-4-one

2,7-diamino-6-phenyl-3H-pteridin-4-one (PubChem CID 135565029) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 2,7-diamino-6-phenyl-3H-pteridin-4-one.

Molecular Properties

Compound Name2,7-diamino-6-phenyl-3H-pteridin-4-one
PubChem CID135565029
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name2,7-diamino-6-phenyl-3H-pteridin-4-one
SMILESNc1nc2nc(N)c(-c3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C12H10N6O/c13-9-7(6-4-2-1-3-5-6)15-8-10(16-9)17-12(14)18-11(8)19/h1-5H,(H5,13,14,16,17,18,19)
InChIKeyUDZYJMZMGMKNJZ-UHFFFAOYSA-N
XLogP0.54
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-diamino-6-phenyl-3H-pteridin-4-one?
The IUPAC name of 2,7-diamino-6-phenyl-3H-pteridin-4-one (CID 135565029) is 2,7-diamino-6-phenyl-3H-pteridin-4-one.
What is the SMILES notation for 2,7-diamino-6-phenyl-3H-pteridin-4-one?
The canonical SMILES for 2,7-diamino-6-phenyl-3H-pteridin-4-one is Nc1nc2nc(N)c(-c3ccccc3)nc2c(=O)[nH]1.
What is the InChIKey of 2,7-diamino-6-phenyl-3H-pteridin-4-one?
The InChIKey is UDZYJMZMGMKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-9-7(6-4-2-1-3-5-6)15-8-10(16-9)17-12(14)18-11(8)19/h1-5H,(H5,13,14,16,17,18,19).
What are the key properties of 2,7-diamino-6-phenyl-3H-pteridin-4-one?
2,7-diamino-6-phenyl-3H-pteridin-4-one has a molecular weight of 254.25 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diamino-6-phenyl-3H-pteridin-4-one is sourced from PubChem (CID 135565029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).