4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C14H9FN4O3 — CID 133376866

IUPAC4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(Oc2ccc(C#N)cc2F)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H9FN4O3/c1-18-12(20)9(7-17)13(19(2)14(18)21)22-11-4-3-8(6-16)5-10(11)15/h3-5H,1-2H3
InChIKeyMBWQUMHNDRHAFV-UHFFFAOYSA-N
MW300.25 g/mol
LogP0.76
Rot. Bonds2

About 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133376866) has the molecular formula C14H9FN4O3 and a molecular weight of 300.25 g/mol. Its IUPAC name is 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133376866
Molecular FormulaC14H9FN4O3
Molecular Weight300.25 g/mol
Exact Mass300.07
IUPAC Name4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(Oc2ccc(C#N)cc2F)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H9FN4O3/c1-18-12(20)9(7-17)13(19(2)14(18)21)22-11-4-3-8(6-16)5-10(11)15/h3-5H,1-2H3
InChIKeyMBWQUMHNDRHAFV-UHFFFAOYSA-N
XLogP0.76
TPSA100.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 12711610
CID 12711610
CID 16044188
CID 16044188
CID 25991234
CID 25991234
CID 25997449
CID 25997449
CID 19011802
CID 19011802
CID 9334589
CID 9334589
CID 9334862
CID 9334862
CID 11393028
CID 11393028
CID 18133068
CID 18133068
CID 18140241
CID 18140241
CID 23905331
CID 23905331
CID 24587400
CID 24587400

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 133376866) is 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(Oc2ccc(C#N)cc2F)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is MBWQUMHNDRHAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O3/c1-18-12(20)9(7-17)13(19(2)14(18)21)22-11-4-3-8(6-16)5-10(11)15/h3-5H,1-2H3.
What are the key properties of 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 300.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-fluorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133376866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).