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

C8H9Cl2N3O — CID 106439752

IUPAC5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H9Cl2N3O/c1-5(2-9)3-13-4-12-7(10)6(11)8(13)14/h2,4H,3,11H2,1H3
InChIKeyONPVQUGWHBCMHJ-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.62
Rot. Bonds2

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

5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one (PubChem CID 106439752) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
PubChem CID106439752
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H9Cl2N3O/c1-5(2-9)3-13-4-12-7(10)6(11)8(13)14/h2,4H,3,11H2,1H3
InChIKeyONPVQUGWHBCMHJ-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one
CID 104939632
6-Chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439751
5-Amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582460
5-Amino-6-chloro-3-(3-methylbut-2-enyl)pyrimidin-4-one
CID 114582489
5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
CID 114582503
5-Amino-6-chloro-3-(2-methylprop-2-enyl)pyrimidin-4-one
CID 114582524
5-amino-3-[(E)-but-2-enyl]-6-chloropyrimidin-4-one
CID 114582540
5-Amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
CID 114582588
5-Amino-3-butan-2-yl-6-chloropyrimidin-4-one
CID 114582643
5-Amino-6-chloro-3-ethylpyrimidin-4-one
CID 114582680
5-Amino-6-chloro-3-(3-methylbutyl)pyrimidin-4-one
CID 114582681
5-Amino-3-butyl-6-chloropyrimidin-4-one
CID 114582684

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one (CID 106439752) is 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one is CC(=CCl)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
The InChIKey is ONPVQUGWHBCMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c1-5(2-9)3-13-4-12-7(10)6(11)8(13)14/h2,4H,3,11H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one?
5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one has a molecular weight of 234.09 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 106439752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).