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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Related Compounds

4-(7-chloroquinazolin-4-yl)piperazin-2-one
CID 24507988
4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
CID 9113696
5-pyrido[3,4-d]pyrimidin-4-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 166602383
4-(5-aminopyrimidin-4-yl)piperazin-2-one
CID 79910176
4-(3,3-difluoropyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163348985
4-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrido[3,4-d]pyrimidine
CID 165433317
4-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 146074600
4-[3-(fluoromethyl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidine
CID 163347877
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
CID 163354113
4-[3-(aminomethyl)-4-pyridinyl]piperazin-2-one
CID 99989750
2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)-1,3-benzothiazole
CID 155975559
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
CID 80763940

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).