6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one

C19H26N6O — CID 126893492

IUPAC6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCN2CC(N3CCN(c4ccccn4)CC3)C2)cn1
InChIInChI=1S/C19H26N6O/c1-16-12-19(26)25(15-21-16)7-6-22-13-17(14-22)23-8-10-24(11-9-23)18-4-2-3-5-20-18/h2-5,12,15,17H,6-11,13-14H2,1H3
InChIKeyXCCYESOCMPXTQA-UHFFFAOYSA-N
MW354.46 g/mol
LogP0.45
Rot. Bonds5

About 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one

6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 126893492) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one
PubChem CID126893492
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCN2CC(N3CCN(c4ccccn4)CC3)C2)cn1
InChIInChI=1S/C19H26N6O/c1-16-12-19(26)25(15-21-16)7-6-22-13-17(14-22)23-8-10-24(11-9-23)18-4-2-3-5-20-18/h2-5,12,15,17H,6-11,13-14H2,1H3
InChIKeyXCCYESOCMPXTQA-UHFFFAOYSA-N
XLogP0.45
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one with MolForge

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Related Compounds

1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
2-methyl-5-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazin-3-one
CID 126893477
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridin-2-one
CID 126893507
1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893462
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
2-cyclopropyl-4-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893435
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
(2R)-1-(2-fluorophenyl)-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]butan-2-amine
CID 143290721
1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893449
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]azepan-2-one
CID 126893583

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one (CID 126893492) is 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCN2CC(N3CCN(c4ccccn4)CC3)C2)cn1.
What is the InChIKey of 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one?
The InChIKey is XCCYESOCMPXTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-16-12-19(26)25(15-21-16)7-6-22-13-17(14-22)23-8-10-24(11-9-23)18-4-2-3-5-20-18/h2-5,12,15,17H,6-11,13-14H2,1H3.
What are the key properties of 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one?
6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 354.46 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 126893492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).