6-chloro-3-(oxan-3-yl)pyrimidin-4-one

C9H11ClN2O2 — CID 107137206

IUPAC6-chloro-3-(oxan-3-yl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CCCOC1
InChIInChI=1S/C9H11ClN2O2/c10-8-4-9(13)12(6-11-8)7-2-1-3-14-5-7/h4,6-7H,1-3,5H2
InChIKeyLHRZBHCEUICPQH-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.25
Rot. Bonds1

About 6-chloro-3-(oxan-3-yl)pyrimidin-4-one

6-chloro-3-(oxan-3-yl)pyrimidin-4-one (PubChem CID 107137206) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-chloro-3-(oxan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(oxan-3-yl)pyrimidin-4-one
PubChem CID107137206
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name6-chloro-3-(oxan-3-yl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CCCOC1
InChIInChI=1S/C9H11ClN2O2/c10-8-4-9(13)12(6-11-8)7-2-1-3-14-5-7/h4,6-7H,1-3,5H2
InChIKeyLHRZBHCEUICPQH-UHFFFAOYSA-N
XLogP1.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(tetrahydro-2H-pyran-4-yl)pyrimidin-4(3H)-one
CID 114582250
6-Chloro-2-methyl-3-(oxan-3-yl)pyrimidin-4-one
CID 107137205
5-Amino-6-chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137207
5,6-Dichloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137208
5-Bromo-6-chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137209
6-Chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one
CID 107137210
6-Chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one
CID 107137211
3-(2-Butoxyethyl)-6-chloropyrimidin-4-one
CID 114582047
6-Chloro-3-(oxolan-3-yl)pyrimidin-4-one
CID 114582070
6-Chloro-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114582071
6-Chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582124
6-Chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one
CID 114582407

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(oxan-3-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(oxan-3-yl)pyrimidin-4-one (CID 107137206) is 6-chloro-3-(oxan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(oxan-3-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(oxan-3-yl)pyrimidin-4-one is O=c1cc(Cl)ncn1C1CCCOC1.
What is the InChIKey of 6-chloro-3-(oxan-3-yl)pyrimidin-4-one?
The InChIKey is LHRZBHCEUICPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-8-4-9(13)12(6-11-8)7-2-1-3-14-5-7/h4,6-7H,1-3,5H2.
What are the key properties of 6-chloro-3-(oxan-3-yl)pyrimidin-4-one?
6-chloro-3-(oxan-3-yl)pyrimidin-4-one has a molecular weight of 214.65 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(oxan-3-yl)pyrimidin-4-one is sourced from PubChem (CID 107137206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).