4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one

C12H17N5O2 — CID 154830347

IUPAC4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one
SMILESCOc1cc(N2CC(N3CCNC(=O)C3)C2)ncn1
InChIInChI=1S/C12H17N5O2/c1-19-12-4-10(14-8-15-12)17-5-9(6-17)16-3-2-13-11(18)7-16/h4,8-9H,2-3,5-7H2,1H3,(H,13,18)
InChIKeyFJYBYIIODZKJGL-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.89
Rot. Bonds3

About 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one

4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one (PubChem CID 154830347) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one
PubChem CID154830347
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one
SMILESCOc1cc(N2CC(N3CCNC(=O)C3)C2)ncn1
InChIInChI=1S/C12H17N5O2/c1-19-12-4-10(14-8-15-12)17-5-9(6-17)16-3-2-13-11(18)7-16/h4,8-9H,2-3,5-7H2,1H3,(H,13,18)
InChIKeyFJYBYIIODZKJGL-UHFFFAOYSA-N
XLogP-0.89
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one
CID 163357658
4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one
CID 155942272
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 134071339
(3aS,6aR)-2-(6-methoxypyrimidin-4-yl)-5-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124799356
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619
4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
CID 114682611
1-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]ethanamine
CID 115315845
N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide
CID 171323466
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide
CID 146024648

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one?
The IUPAC name of 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one (CID 154830347) is 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one.
What is the SMILES notation for 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one?
The canonical SMILES for 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one is COc1cc(N2CC(N3CCNC(=O)C3)C2)ncn1.
What is the InChIKey of 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one?
The InChIKey is FJYBYIIODZKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-19-12-4-10(14-8-15-12)17-5-9(6-17)16-3-2-13-11(18)7-16/h4,8-9H,2-3,5-7H2,1H3,(H,13,18).
What are the key properties of 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one?
4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one is sourced from PubChem (CID 154830347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).