2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile

C24H24FN5O2 — CID 118483114

IUPAC2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile
SMILESCNCC1CN(c2nc(-c3ccc(C#N)c(F)c3)c(-c3ccc(OC)cc3)c(=O)n2C)C1
InChIInChI=1S/C24H24FN5O2/c1-27-12-15-13-30(14-15)24-28-22(17-4-5-18(11-26)20(25)10-17)21(23(31)29(24)2)16-6-8-19(32-3)9-7-16/h4-10,15,27H,12-14H2,1-3H3
InChIKeyHGSLKHOSLFRCSE-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.79
Rot. Bonds6

About 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile

2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile (PubChem CID 118483114) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile
PubChem CID118483114
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile
SMILESCNCC1CN(c2nc(-c3ccc(C#N)c(F)c3)c(-c3ccc(OC)cc3)c(=O)n2C)C1
InChIInChI=1S/C24H24FN5O2/c1-27-12-15-13-30(14-15)24-28-22(17-4-5-18(11-26)20(25)10-17)21(23(31)29(24)2)16-6-8-19(32-3)9-7-16/h4-10,15,27H,12-14H2,1-3H3
InChIKeyHGSLKHOSLFRCSE-UHFFFAOYSA-N
XLogP2.79
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile (CID 118483114) is 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile is CNCC1CN(c2nc(-c3ccc(C#N)c(F)c3)c(-c3ccc(OC)cc3)c(=O)n2C)C1.
What is the InChIKey of 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile?
The InChIKey is HGSLKHOSLFRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-27-12-15-13-30(14-15)24-28-22(17-4-5-18(11-26)20(25)10-17)21(23(31)29(24)2)16-6-8-19(32-3)9-7-16/h4-10,15,27H,12-14H2,1-3H3.
What are the key properties of 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile?
2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile has a molecular weight of 433.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-(4-methoxyphenyl)-1-methyl-2-[3-(methylaminomethyl)azetidin-1-yl]-6-oxopyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 118483114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).