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

C7H6Cl3N3O — CID 104939632

IUPAC5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(Cl)=CCl)c1=O
InChIInChI=1S/C7H6Cl3N3O/c8-1-4(9)2-13-3-12-6(10)5(11)7(13)14/h1,3H,2,11H2
InChIKeyJVTUYCNEYIYQLJ-UHFFFAOYSA-N
MW254.50 g/mol
LogP1.80
Rot. Bonds2

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

5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one (PubChem CID 104939632) has the molecular formula C7H6Cl3N3O and a molecular weight of 254.50 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one
PubChem CID104939632
Molecular FormulaC7H6Cl3N3O
Molecular Weight254.50 g/mol
Exact Mass252.96
IUPAC Name5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(Cl)=CCl)c1=O
InChIInChI=1S/C7H6Cl3N3O/c8-1-4(9)2-13-3-12-6(10)5(11)7(13)14/h1,3H,2,11H2
InChIKeyJVTUYCNEYIYQLJ-UHFFFAOYSA-N
XLogP1.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582744
5-Amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439752
2-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)acetonitrile
CID 114582468
5-Amino-6-chloro-3-prop-2-enylpyrimidin-4-one
CID 114582469
5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
CID 114582503
5-Amino-6-chloro-3-prop-2-ynylpyrimidin-4-one
CID 114582586
5-Amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
CID 114582588
5-Amino-6-chloro-3-ethylpyrimidin-4-one
CID 114582680
5-Amino-6-chloro-3-propan-2-ylpyrimidin-4-one
CID 114582683
5-Amino-3-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-one
CID 114582694
5-Amino-6-chloro-3-propylpyrimidin-4-one
CID 114582833
5-amino-6-chloro-3-[(E)-3-chloro-2-methylprop-2-enyl]pyrimidin-4-one
CID 133614570

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one (CID 104939632) is 5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC(Cl)=CCl)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one?
The InChIKey is JVTUYCNEYIYQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3N3O/c8-1-4(9)2-13-3-12-6(10)5(11)7(13)14/h1,3H,2,11H2.
What are the key properties of 5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one has a molecular weight of 254.50 g/mol, XLogP of 1.80, 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-(2,3-dichloroprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 104939632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).