5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one

C8H8Cl2N2O2 — CID 114582937

IUPAC5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C1CCOC1
InChIInChI=1S/C8H8Cl2N2O2/c9-6-7(10)11-4-12(8(6)13)5-1-2-14-3-5/h4-5H,1-3H2
InChIKeyQWYZFCKCSMLXST-UHFFFAOYSA-N
MW235.07 g/mol
LogP1.51
Rot. Bonds1

About 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one

5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one (PubChem CID 114582937) has the molecular formula C8H8Cl2N2O2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one
PubChem CID114582937
Molecular FormulaC8H8Cl2N2O2
Molecular Weight235.07 g/mol
Exact Mass234.00
IUPAC Name5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1C1CCOC1
InChIInChI=1S/C8H8Cl2N2O2/c9-6-7(10)11-4-12(8(6)13)5-1-2-14-3-5/h4-5H,1-3H2
InChIKeyQWYZFCKCSMLXST-UHFFFAOYSA-N
XLogP1.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134
5,6-Dichloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455822
5,6-Dichloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455823
5,6-Dichloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137208
6-Chloro-3-(oxolan-3-yl)pyrimidin-4-one
CID 114582070
5-Amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one
CID 114582509
3-(2-Butoxyethyl)-5,6-dichloropyrimidin-4-one
CID 114582916
5,6-Dichloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 114582957
5,6-Dichloro-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
CID 114582989
5,6-Dichloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582991
5,6-Dichloro-3-(2-ethoxyethyl)pyrimidin-4-one
CID 114583105
5,6-Dichloro-3-(oxan-4-yl)pyrimidin-4-one
CID 114583116

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one (CID 114582937) is 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1C1CCOC1.
What is the InChIKey of 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one?
The InChIKey is QWYZFCKCSMLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2/c9-6-7(10)11-4-12(8(6)13)5-1-2-14-3-5/h4-5H,1-3H2.
What are the key properties of 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one?
5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one has a molecular weight of 235.07 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(oxolan-3-yl)pyrimidin-4-one is sourced from PubChem (CID 114582937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).