2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one

C11H12N4O2 — CID 73374270

IUPAC2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one
SMILESO=C1N=CC=C2N=C(N3CCOCC3)N=CC12
InChIInChI=1S/C11H12N4O2/c16-10-8-7-13-11(14-9(8)1-2-12-10)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyYDLPYXXLTKSEAO-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.13
Rot. Bonds

About 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one

2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 73374270) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one
PubChem CID73374270
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one
SMILESO=C1N=CC=C2N=C(N3CCOCC3)N=CC12
InChIInChI=1S/C11H12N4O2/c16-10-8-7-13-11(14-9(8)1-2-12-10)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2
InChIKeyYDLPYXXLTKSEAO-UHFFFAOYSA-N
XLogP-0.13
TPSA66.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one (CID 73374270) is 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one is O=C1N=CC=C2N=C(N3CCOCC3)N=CC12.
What is the InChIKey of 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is YDLPYXXLTKSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-10-8-7-13-11(14-9(8)1-2-12-10)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2.
What are the key properties of 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one?
2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 232.24 g/mol, XLogP of -0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4aH-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 73374270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).