6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

C10H14ClIN2O2 — CID 106455826

IUPAC6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C10H14ClIN2O2/c1-7(2)5-16-4-3-14-6-13-9(11)8(12)10(14)15/h6-7H,3-5H2,1-2H3
InChIKeyWBRZMQUMPKSAFS-UHFFFAOYSA-N
MW356.59 g/mol
LogP2.17
Rot. Bonds5

About 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one

6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (PubChem CID 106455826) has the molecular formula C10H14ClIN2O2 and a molecular weight of 356.59 g/mol. Its IUPAC name is 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
PubChem CID106455826
Molecular FormulaC10H14ClIN2O2
Molecular Weight356.59 g/mol
Exact Mass355.98
IUPAC Name6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
SMILESCC(C)COCCn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C10H14ClIN2O2/c1-7(2)5-16-4-3-14-6-13-9(11)8(12)10(14)15/h6-7H,3-5H2,1-2H3
InChIKeyWBRZMQUMPKSAFS-UHFFFAOYSA-N
XLogP2.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-5-iodo-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114584133
3-(2-Ethoxyethyl)-5-iodopyrimidin-4-one
CID 66309062
5-Iodo-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 66309075
3-[2-(2-Chloroethoxy)ethyl]-5-iodopyrimidin-4-one
CID 66310113
3-(2-Butoxyethyl)-5-iodopyrimidin-4-one
CID 66310777
5-Iodo-6-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 66340004
3-[2-(2-Chloroethoxy)ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341548
3-(2-Ethoxyethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66341772
5-Iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182050
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182127
5,6-Dichloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182134
6-Chloro-5-iodo-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182140

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one (CID 106455826) is 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is CC(C)COCCn1cnc(Cl)c(I)c1=O.
What is the InChIKey of 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
The InChIKey is WBRZMQUMPKSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2O2/c1-7(2)5-16-4-3-14-6-13-9(11)8(12)10(14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one?
6-chloro-5-iodo-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one has a molecular weight of 356.59 g/mol, XLogP of 2.17, 5 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-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 106455826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).