6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one

C15H21ClN2O2 — CID 114581701

IUPAC6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H21ClN2O2/c1-11-17-13(16)9-14(19)18(11)12-5-8-20-15(10-12)6-3-2-4-7-15/h9,12H,2-8,10H2,1H3
InChIKeyHWIGONPMMCFNLL-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.26
Rot. Bonds1

About 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one

6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one (PubChem CID 114581701) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
PubChem CID114581701
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H21ClN2O2/c1-11-17-13(16)9-14(19)18(11)12-5-8-20-15(10-12)6-3-2-4-7-15/h9,12H,2-8,10H2,1H3
InChIKeyHWIGONPMMCFNLL-UHFFFAOYSA-N
XLogP3.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-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

6-Chloro-2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 113604139
6-Chloro-3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylpyrimidin-4-one
CID 113604151
6-Chloro-2-methyl-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one
CID 113604174
6-Chloro-2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 113604186
6-Chloro-3-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 113604235
6-Chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpyrimidin-4-one
CID 114581703
6-Chloro-2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114581795
6-Chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582128
6-Chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582130
6-Chloro-3-(5-oxaspiro[3.5]nonan-8-yl)pyrimidin-4-one
CID 114582305
5,6-Dichloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582996
5-Bromo-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114583422

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one (CID 114581701) is 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1C1CCOC2(CCCCC2)C1.
What is the InChIKey of 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The InChIKey is HWIGONPMMCFNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-17-13(16)9-14(19)18(11)12-5-8-20-15(10-12)6-3-2-4-7-15/h9,12H,2-8,10H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one has a molecular weight of 296.80 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one is sourced from PubChem (CID 114581701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).