4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C14H12FN3O3 — CID 133376784

IUPAC4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1cc(Oc2c(C#N)c(=O)n(C)c(=O)n2C)ccc1F
InChIInChI=1S/C14H12FN3O3/c1-8-6-9(4-5-11(8)15)21-13-10(7-16)12(19)17(2)14(20)18(13)3/h4-6H,1-3H3
InChIKeyZQUWHUDUJATPBJ-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.20
Rot. Bonds2

About 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133376784) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133376784
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1cc(Oc2c(C#N)c(=O)n(C)c(=O)n2C)ccc1F
InChIInChI=1S/C14H12FN3O3/c1-8-6-9(4-5-11(8)15)21-13-10(7-16)12(19)17(2)14(20)18(13)3/h4-6H,1-3H3
InChIKeyZQUWHUDUJATPBJ-UHFFFAOYSA-N
XLogP1.20
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 133376784) is 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cc1cc(Oc2c(C#N)c(=O)n(C)c(=O)n2C)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is ZQUWHUDUJATPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-6-9(4-5-11(8)15)21-13-10(7-16)12(19)17(2)14(20)18(13)3/h4-6H,1-3H3.
What are the key properties of 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 289.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133376784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).