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

C10H12ClIN2O2 — CID 103136908

IUPAC6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(I)c2=O)O1
InChIInChI=1S/C10H12ClIN2O2/c1-6-2-3-7(16-6)4-14-5-13-9(11)8(12)10(14)15/h5-7H,2-4H2,1H3
InChIKeyGQHCOWBTYGADSK-UHFFFAOYSA-N
MW354.58 g/mol
LogP2.07
Rot. Bonds2

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

6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103136908) has the molecular formula C10H12ClIN2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103136908
Molecular FormulaC10H12ClIN2O2
Molecular Weight354.58 g/mol
Exact Mass353.96
IUPAC Name6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(I)c2=O)O1
InChIInChI=1S/C10H12ClIN2O2/c1-6-2-3-7(16-6)4-14-5-13-9(11)8(12)10(14)15/h5-7H,2-4H2,1H3
InChIKeyGQHCOWBTYGADSK-UHFFFAOYSA-N
XLogP2.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-Iodo-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 66308440
5-Iodo-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 66339830
5-Iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 66342669
5-Iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136836
5-Iodo-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136837
5-Iodo-2-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136840
6-Chloro-2-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136896
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
5-Bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136906
6-Chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136917

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103136908) is 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is CC1CCC(Cn2cnc(Cl)c(I)c2=O)O1.
What is the InChIKey of 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is GQHCOWBTYGADSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O2/c1-6-2-3-7(16-6)4-14-5-13-9(11)8(12)10(14)15/h5-7H,2-4H2,1H3.
What are the key properties of 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 354.58 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103136908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).