3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one

C9H11ClN2O2 — CID 79376385

IUPAC3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESC=C(Cl)Cn1c(OC)nc(C)cc1=O
InChIInChI=1S/C9H11ClN2O2/c1-6(10)5-12-8(13)4-7(2)11-9(12)14-3/h4H,1,5H2,2-3H3
InChIKeyJWSLKSIMKWUBFT-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.31
Rot. Bonds3

About 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one

3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79376385) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79376385
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESC=C(Cl)Cn1c(OC)nc(C)cc1=O
InChIInChI=1S/C9H11ClN2O2/c1-6(10)5-12-8(13)4-7(2)11-9(12)14-3/h4H,1,5H2,2-3H3
InChIKeyJWSLKSIMKWUBFT-UHFFFAOYSA-N
XLogP1.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-6-methyl-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 79375275
3-(2,2-Difluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79375857
2-Methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 79376478
3-(2-Fluoroethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 80695143
3-(3-Fluoropropyl)-2-methoxy-6-methylpyrimidin-4-one
CID 81114529
Trifluoro-[3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)prop-1-en-2-yl]boranuide
CID 106746432
3-Ethyl-2-methoxy-6-methylpyrimidin-4-one
CID 15423006
2,6-Dichloro-3-(1-methoxypropyl)pyrimidin-4-one
CID 118484035
6-Methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126857526
3,6-Dimethyl-2-propoxypyrimidin-4-one
CID 10866971
2-Methoxy-3,6-dimethylpyrimidin-4-one
CID 11084084
3-(3-Chloropropyl)-6-methylpyrimidin-4-one
CID 61224365

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one (CID 79376385) is 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one is C=C(Cl)Cn1c(OC)nc(C)cc1=O.
What is the InChIKey of 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is JWSLKSIMKWUBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(10)5-12-8(13)4-7(2)11-9(12)14-3/h4H,1,5H2,2-3H3.
What are the key properties of 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one?
3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 214.65 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enyl)-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79376385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).