5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

C10H12BrClN2O2 — CID 103136906

IUPAC5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(Br)c2=O)O1
InChIInChI=1S/C10H12BrClN2O2/c1-6-2-3-7(16-6)4-14-5-13-9(12)8(11)10(14)15/h5-7H,2-4H2,1H3
InChIKeyKQAGHBWZQYDQLV-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.23
Rot. Bonds2

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

5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103136906) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103136906
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(Br)c2=O)O1
InChIInChI=1S/C10H12BrClN2O2/c1-6-2-3-7(16-6)4-14-5-13-9(12)8(11)10(14)15/h5-7H,2-4H2,1H3
InChIKeyKQAGHBWZQYDQLV-UHFFFAOYSA-N
XLogP2.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 66309992
5-Bromo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 66310040
5-Bromo-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 66310298
5-Bromo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136833
5-Bromo-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136834
5-Bromo-2-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136835
6-Chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136899
5-Amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136901
5,6-Dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136903
6-Chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136908
6-Chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136917
6-Chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
CID 114582022

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103136906) is 5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is CC1CCC(Cn2cnc(Cl)c(Br)c2=O)O1.
What is the InChIKey of 5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is KQAGHBWZQYDQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/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-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 307.58 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103136906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).