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

C7H6Cl2N2O — CID 114582064

IUPAC6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C/C=C/Cl
InChIInChI=1S/C7H6Cl2N2O/c8-2-1-3-11-5-10-6(9)4-7(11)12/h1-2,4-5H,3H2/b2-1+
InChIKeyIUKFAJTXPRCSNE-OWOJBTEDSA-N
MW205.04 g/mol
LogP1.65
Rot. Bonds2

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

6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one (PubChem CID 114582064) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
PubChem CID114582064
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C/C=C/Cl
InChIInChI=1S/C7H6Cl2N2O/c8-2-1-3-11-5-10-6(9)4-7(11)12/h1-2,4-5H,3H2/b2-1+
InChIKeyIUKFAJTXPRCSNE-OWOJBTEDSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
2-(1,6-Dihydro-6-oxopyrimidin-1-yl)ethyl chloride
CID 19772555
2,6-Dichloro-3-ethyl-4(3h)-pyrimidinone
CID 118483166
6-Chloro-3-(chloromethyl)pyrimidin-4-one
CID 172105815
3-(3-Chloropropyl)pyrimidin-4-one
CID 63768471
3-[(E)-4-chlorobut-2-enyl]pyrimidin-4-one
CID 64682507
3-(4-Chlorobut-2-enyl)-6-methylpyrimidin-4-one
CID 77051704
3-(4-Chlorobut-2-enyl)pyrimidin-4-one
CID 77051708
3-(3-Chloroprop-2-enyl)-5-iodopyrimidin-4-one
CID 77120210
3-[2-(Chloromethyl)prop-2-enyl]pyrimidin-4-one
CID 103065785
6-Chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one
CID 104939631
6-Chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439751

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one (CID 114582064) is 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one is O=c1cc(Cl)ncn1C/C=C/Cl.
What is the InChIKey of 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
The InChIKey is IUKFAJTXPRCSNE-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c8-2-1-3-11-5-10-6(9)4-7(11)12/h1-2,4-5H,3H2/b2-1+.
What are the key properties of 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one?
6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one has a molecular weight of 205.04 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-3-chloroprop-2-enyl]pyrimidin-4-one is sourced from PubChem (CID 114582064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).