4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one

C11H14ClN5O — CID 155942272

IUPAC4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one
SMILESO=C1CN(C2CN(c3ncc(Cl)cn3)C2)CCN1
InChIInChI=1S/C11H14ClN5O/c12-8-3-14-11(15-4-8)17-5-9(6-17)16-2-1-13-10(18)7-16/h3-4,9H,1-2,5-7H2,(H,13,18)
InChIKeyBECQADXEHBSNDM-UHFFFAOYSA-N
MW267.72 g/mol
LogP-0.25
Rot. Bonds2

About 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one

4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one (PubChem CID 155942272) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one
PubChem CID155942272
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one
SMILESO=C1CN(C2CN(c3ncc(Cl)cn3)C2)CCN1
InChIInChI=1S/C11H14ClN5O/c12-8-3-14-11(15-4-8)17-5-9(6-17)16-2-1-13-10(18)7-16/h3-4,9H,1-2,5-7H2,(H,13,18)
InChIKeyBECQADXEHBSNDM-UHFFFAOYSA-N
XLogP-0.25
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one
CID 163357658
4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one
CID 154830347
4-(5-hydroxypyrimidin-2-yl)piperazin-2-one
CID 170608723
1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one
CID 84650199
5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 122160364
4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperazin-2-one
CID 97359050
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
1-[1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-yl]piperazine
CID 114836339
1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione
CID 177363474
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one
CID 103726622

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one?
The IUPAC name of 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one (CID 155942272) is 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one.
What is the SMILES notation for 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one?
The canonical SMILES for 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one is O=C1CN(C2CN(c3ncc(Cl)cn3)C2)CCN1.
What is the InChIKey of 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one?
The InChIKey is BECQADXEHBSNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c12-8-3-14-11(15-4-8)17-5-9(6-17)16-2-1-13-10(18)7-16/h3-4,9H,1-2,5-7H2,(H,13,18).
What are the key properties of 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one?
4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one has a molecular weight of 267.72 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one is sourced from PubChem (CID 155942272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).