4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one

C11H11N5O — CID 171326741

IUPAC4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
SMILESO=C1CN(c2ncnc3cnccc23)CCN1
InChIInChI=1S/C11H11N5O/c17-10-6-16(4-3-13-10)11-8-1-2-12-5-9(8)14-7-15-11/h1-2,5,7H,3-4,6H2,(H,13,17)
InChIKeyMTGMOBAEJLQMFX-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.04
Rot. Bonds1

About 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one

4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one (PubChem CID 171326741) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one.

Molecular Properties

Compound Name4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
PubChem CID171326741
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one
SMILESO=C1CN(c2ncnc3cnccc23)CCN1
InChIInChI=1S/C11H11N5O/c17-10-6-16(4-3-13-10)11-8-1-2-12-5-9(8)14-7-15-11/h1-2,5,7H,3-4,6H2,(H,13,17)
InChIKeyMTGMOBAEJLQMFX-UHFFFAOYSA-N
XLogP-0.04
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one?
The IUPAC name of 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one (CID 171326741) is 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one.
What is the SMILES notation for 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one?
The canonical SMILES for 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one is O=C1CN(c2ncnc3cnccc23)CCN1.
What is the InChIKey of 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one?
The InChIKey is MTGMOBAEJLQMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c17-10-6-16(4-3-13-10)11-8-1-2-12-5-9(8)14-7-15-11/h1-2,5,7H,3-4,6H2,(H,13,17).
What are the key properties of 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one?
4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one has a molecular weight of 229.24 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-2-one is sourced from PubChem (CID 171326741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).