pteridine;3H-pyrido[3,2-d]pyrimidin-4-one

C13H9N7O — CID 143210826

IUPACpteridine;3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cccnc12.c1cnc2ncncc2n1
InChIInChI=1S/C7H5N3O.C6H4N4/c11-7-6-5(9-4-10-7)2-1-3-8-6;1-2-9-6-5(8-1)3-7-4-10-6/h1-4H,(H,9,10,11);1-4H
InChIKeyLRBNRQBWHSPAGJ-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.74
Rot. Bonds

About pteridine;3H-pyrido[3,2-d]pyrimidin-4-one

pteridine;3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 143210826) has the molecular formula C13H9N7O and a molecular weight of 279.26 g/mol. Its IUPAC name is pteridine;3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Namepteridine;3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID143210826
Molecular FormulaC13H9N7O
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Namepteridine;3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cccnc12.c1cnc2ncncc2n1
InChIInChI=1S/C7H5N3O.C6H4N4/c11-7-6-5(9-4-10-7)2-1-3-8-6;1-2-9-6-5(8-1)3-7-4-10-6/h1-4H,(H,9,10,11);1-4H
InChIKeyLRBNRQBWHSPAGJ-UHFFFAOYSA-N
XLogP0.74
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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propane;pyrido[3,2-d]pyrimidine
CID 144881600
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Frequently Asked Questions

What is the IUPAC name of pteridine;3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of pteridine;3H-pyrido[3,2-d]pyrimidin-4-one (CID 143210826) is pteridine;3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for pteridine;3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for pteridine;3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2cccnc12.c1cnc2ncncc2n1.
What is the InChIKey of pteridine;3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is LRBNRQBWHSPAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O.C6H4N4/c11-7-6-5(9-4-10-7)2-1-3-8-6;1-2-9-6-5(8-1)3-7-4-10-6/h1-4H,(H,9,10,11);1-4H.
What are the key properties of pteridine;3H-pyrido[3,2-d]pyrimidin-4-one?
pteridine;3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 279.26 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pteridine;3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 143210826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).