N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine

C18H16FN3O — CID 162665585

IUPACN-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1F
InChIInChI=1S/C18H16FN3O/c1-12-10-17(21-14-8-9-16(23-2)15(19)11-14)22-18(20-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,22)
InChIKeyXCIXUNSMHDUYOL-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.34
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine

N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 162665585) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID162665585
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1F
InChIInChI=1S/C18H16FN3O/c1-12-10-17(21-14-8-9-16(23-2)15(19)11-14)22-18(20-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,22)
InChIKeyXCIXUNSMHDUYOL-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine 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 N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine (CID 162665585) is N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine is COc1ccc(Nc2cc(C)nc(-c3ccccc3)n2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is XCIXUNSMHDUYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-10-17(21-14-8-9-16(23-2)15(19)11-14)22-18(20-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 309.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 162665585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).