6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one

C15H21ClN2O2 — CID 102899759

IUPAC6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H21ClN2O2/c1-2-13-17-12(16)9-14(19)18(13)10-11-5-8-15(20-11)6-3-4-7-15/h9,11H,2-8,10H2,1H3
InChIKeyWSVBDLJBRQQEAN-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.95
Rot. Bonds3

About 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one

6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one (PubChem CID 102899759) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
PubChem CID102899759
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC1CCC2(CCCC2)O1
InChIInChI=1S/C15H21ClN2O2/c1-2-13-17-12(16)9-14(19)18(13)10-11-5-8-15(20-11)6-3-4-7-15/h9,11H,2-8,10H2,1H3
InChIKeyWSVBDLJBRQQEAN-UHFFFAOYSA-N
XLogP2.95
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyridin-2-one
CID 102897974
2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846459
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
CID 102901064
5-iodo-2-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
CID 102899735
6-chloro-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-ethylpyrimidin-4-one
CID 114584235
5-amino-1-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidine-2,4-dione
CID 102897966
6-chloro-3-(3-ethoxypropyl)-2-ethylpyrimidin-4-one
CID 114584383
5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
CID 102901058
3-but-3-enyl-6-chloro-2-ethylpyrimidin-4-one
CID 114584259
6-chloro-2-ethyl-3-(2-methylidenebutyl)pyrimidin-4-one
CID 114584434
3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 164636026
6-chloro-2-ethyl-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706084

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one (CID 102899759) is 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CC1CCC2(CCCC2)O1.
What is the InChIKey of 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is WSVBDLJBRQQEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-13-17-12(16)9-14(19)18(13)10-11-5-8-15(20-11)6-3-4-7-15/h9,11H,2-8,10H2,1H3.
What are the key properties of 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 296.80 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 102899759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).