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

C7H7Cl2N3O — CID 114582503

IUPAC5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(C/C=C/Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O/c8-2-1-3-12-4-11-6(9)5(10)7(12)13/h1-2,4H,3,10H2/b2-1+
InChIKeyGFCPLSKJIRYFBV-OWOJBTEDSA-N
MW220.06 g/mol
LogP1.23
Rot. Bonds2

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

5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one (PubChem CID 114582503) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
PubChem CID114582503
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(C/C=C/Cl)c1=O
InChIInChI=1S/C7H7Cl2N3O/c8-2-1-3-12-4-11-6(9)5(10)7(12)13/h1-2,4H,3,10H2/b2-1+
InChIKeyGFCPLSKJIRYFBV-OWOJBTEDSA-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-(2-fluoroethyl)pyrimidin-4-one
CID 114582744
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
6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
CID 114582064
5-Amino-6-chloro-3-prop-2-enylpyrimidin-4-one
CID 114582469
5-Amino-3-but-3-en-2-yl-6-chloropyrimidin-4-one
CID 114582493
5-amino-3-[(E)-but-2-enyl]-6-chloropyrimidin-4-one
CID 114582540
5-Amino-3-but-3-enyl-6-chloropyrimidin-4-one
CID 114582579
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-3-(2-bromoprop-2-enyl)-6-chloropyrimidin-4-one
CID 114582694
5,6-dichloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
CID 114582932

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one (CID 114582503) is 5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one is Nc1c(Cl)ncn(C/C=C/Cl)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The InChIKey is GFCPLSKJIRYFBV-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c8-2-1-3-12-4-11-6(9)5(10)7(12)13/h1-2,4H,3,10H2/b2-1+.
What are the key properties of 5-amino-6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(E)-3-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-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one is sourced from PubChem (CID 114582503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).