(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

C12H14ClN3O2 — CID 134177581

IUPAC(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESO=C(c1cnc(Cl)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C12H14ClN3O2/c13-11-14-5-9(6-15-11)10(17)16-7-12(8-16)1-3-18-4-2-12/h5-6H,1-4,7-8H2
InChIKeyUDVSWMZOWURGKT-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.38
Rot. Bonds1

About (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 134177581) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
PubChem CID134177581
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESO=C(c1cnc(Cl)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C12H14ClN3O2/c13-11-14-5-9(6-15-11)10(17)16-7-12(8-16)1-3-18-4-2-12/h5-6H,1-4,7-8H2
InChIKeyUDVSWMZOWURGKT-UHFFFAOYSA-N
XLogP1.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone
CID 127006873
azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
CID 130550489
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-pyrimidin-5-ylethylamino)pyrimidin-5-yl]methanone
CID 139580309
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-phenylethylamino)pyrimidin-5-yl]methanone
CID 170310115
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 134177597
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1S)-1-(2,4,6-trifluorophenyl)ethyl]amino]pyrimidin-5-yl]methanone
CID 170311691
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[4-(trifluoromethyl)pyrimidin-5-yl]methylamino]pyrimidin-5-yl]methanone
CID 134176867
[2-[methyl-[1-[(E)-1-(methylideneamino)prop-1-en-2-yl]cyclopropyl]amino]pyrimidin-5-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 134177598
(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 71971550
[1-(3-chlorophenyl)pyrazol-4-yl]-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)methanone
CID 126775210
(6-chloro-3-pyridinyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 131069080
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908

Frequently Asked Questions

What is the IUPAC name of (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 134177581) is (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is O=C(c1cnc(Cl)nc1)N1CC2(CCOCC2)C1.
What is the InChIKey of (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is UDVSWMZOWURGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-11-14-5-9(6-15-11)10(17)16-7-12(8-16)1-3-18-4-2-12/h5-6H,1-4,7-8H2.
What are the key properties of (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 267.72 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 134177581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).