2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one

C17H16N4O2 — CID 25251819

IUPAC2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCOCC3)nc2ccn1-c1ccccc1
InChIInChI=1S/C17H16N4O2/c22-16-14-12-18-17(20-8-10-23-11-9-20)19-15(14)6-7-21(16)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyJOXIDBLMFVLYKY-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.62
Rot. Bonds2

About 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one

2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 25251819) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one
PubChem CID25251819
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCOCC3)nc2ccn1-c1ccccc1
InChIInChI=1S/C17H16N4O2/c22-16-14-12-18-17(20-8-10-23-11-9-20)19-15(14)6-7-21(16)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyJOXIDBLMFVLYKY-UHFFFAOYSA-N
XLogP1.62
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one (CID 25251819) is 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one is O=c1c2cnc(N3CCOCC3)nc2ccn1-c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is JOXIDBLMFVLYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16-14-12-18-17(20-8-10-23-11-9-20)19-15(14)6-7-21(16)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one?
2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 308.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-phenylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 25251819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).