6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one

C8H7Cl2IN2O — CID 106439755

IUPAC6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C8H7Cl2IN2O/c1-5(2-9)3-13-4-12-7(10)6(11)8(13)14/h2,4H,3H2,1H3
InChIKeyALGUUSAMYUNBAU-UHFFFAOYSA-N
MW344.97 g/mol
LogP2.64
Rot. Bonds2

About 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one

6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one (PubChem CID 106439755) has the molecular formula C8H7Cl2IN2O and a molecular weight of 344.97 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one
PubChem CID106439755
Molecular FormulaC8H7Cl2IN2O
Molecular Weight344.97 g/mol
Exact Mass343.90
IUPAC Name6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C8H7Cl2IN2O/c1-5(2-9)3-13-4-12-7(10)6(11)8(13)14/h2,4H,3H2,1H3
InChIKeyALGUUSAMYUNBAU-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.97
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Chloro-2-methylpropyl)-5-iodopyrimidin-4-one
CID 66309905
5-Iodo-3-(2-methylprop-2-enyl)pyrimidin-4-one
CID 66310769
3-(2,3-Dichloroprop-2-enyl)-5-iodopyrimidin-4-one
CID 79173191
3-(2,3-Dichloroprop-2-enyl)-5-iodo-6-methylpyrimidin-4-one
CID 79173192
3-[2-(Chloromethyl)prop-2-enyl]-5-iodopyrimidin-4-one
CID 103065819
3-[2-(Chloromethyl)prop-2-enyl]-5-iodo-6-methylpyrimidin-4-one
CID 103065820
3-[2-(Chloromethyl)prop-2-enyl]-5-iodo-2-methylpyrimidin-4-one
CID 103065821
3-[(Z)-3-chloro-2-methylprop-2-enyl]-5-iodopyrimidin-4-one
CID 106439730
3-(3-Chloro-2-methylprop-2-enyl)-5-iodo-6-methylpyrimidin-4-one
CID 106439731
3-[(Z)-3-chloro-2-methylprop-2-enyl]-5-iodo-2-methylpyrimidin-4-one
CID 106439732
6-Chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439751
5,6-Dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one (CID 106439755) is 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one is CC(=CCl)Cn1cnc(Cl)c(I)c1=O.
What is the InChIKey of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one?
The InChIKey is ALGUUSAMYUNBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2IN2O/c1-5(2-9)3-13-4-12-7(10)6(11)8(13)14/h2,4H,3H2,1H3.
What are the key properties of 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one?
6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one has a molecular weight of 344.97 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chloro-2-methylprop-2-enyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 106439755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).