5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

C10H12Cl2N2O2 — CID 103136903

IUPAC5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(Cl)c2=O)O1
InChIInChI=1S/C10H12Cl2N2O2/c1-6-2-3-7(16-6)4-14-5-13-9(12)8(11)10(14)15/h5-7H,2-4H2,1H3
InChIKeyQMNBICDBDPMFNN-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.12
Rot. Bonds2

About 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103136903) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103136903
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(Cl)c2=O)O1
InChIInChI=1S/C10H12Cl2N2O2/c1-6-2-3-7(16-6)4-14-5-13-9(12)8(11)10(14)15/h5-7H,2-4H2,1H3
InChIKeyQMNBICDBDPMFNN-UHFFFAOYSA-N
XLogP2.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
CID 103136893
5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583244
5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 103135274
1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
CID 130538368
5,6-dichloro-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidin-4-one
CID 114582943
1-[(4,5-dichloro-6-oxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile
CID 164646018
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
5,6-dichloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582920
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde
CID 103136229
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103136903) is 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is CC1CCC(Cn2cnc(Cl)c(Cl)c2=O)O1.
What is the InChIKey of 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is QMNBICDBDPMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-6-2-3-7(16-6)4-14-5-13-9(12)8(11)10(14)15/h5-7H,2-4H2,1H3.
What are the key properties of 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 263.12 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103136903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).