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

C7H7Cl2N3O — CID 114582588

IUPAC5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
SMILESC=C(Cl)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H7Cl2N3O/c1-4(8)2-12-3-11-6(9)5(10)7(12)13/h3H,1-2,10H2
InChIKeyXMGAQACVGICJRG-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.23
Rot. Bonds2

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

5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one (PubChem CID 114582588) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
PubChem CID114582588
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
SMILESC=C(Cl)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H7Cl2N3O/c1-4(8)2-12-3-11-6(9)5(10)7(12)13/h3H,1-2,10H2
InChIKeyXMGAQACVGICJRG-UHFFFAOYSA-N
XLogP1.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582482
5-Amino-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582494
5-Amino-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582648
5-Amino-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582744
5-Amino-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582822
5-Amino-6-chloro-3-(2,3-dichloroprop-2-enyl)pyrimidin-4-one
CID 104939632
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-(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

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one (CID 114582588) is 5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one is C=C(Cl)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The InChIKey is XMGAQACVGICJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c1-4(8)2-12-3-11-6(9)5(10)7(12)13/h3H,1-2,10H2.
What are the key properties of 5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one has a molecular weight of 220.06 g/mol, XLogP of 1.23, 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-chloroprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 114582588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).