5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine

C19H15FN4O — CID 71681468

IUPAC5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1
InChIInChI=1S/C19H15FN4O/c1-19(24-18(21)17-15(20)6-3-7-16(17)25-19)14-5-2-4-12(8-14)13-9-22-11-23-10-13/h2-11H,1H3,(H2,21,24)
InChIKeyASMXERROSSALJP-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.25
Rot. Bonds2

About 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine

5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine (PubChem CID 71681468) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine
PubChem CID71681468
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1
InChIInChI=1S/C19H15FN4O/c1-19(24-18(21)17-15(20)6-3-7-16(17)25-19)14-5-2-4-12(8-14)13-9-22-11-23-10-13/h2-11H,1H3,(H2,21,24)
InChIKeyASMXERROSSALJP-UHFFFAOYSA-N
XLogP3.25
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-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 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine?
The IUPAC name of 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine (CID 71681468) is 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine.
What is the SMILES notation for 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine?
The canonical SMILES for 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine is CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1.
What is the InChIKey of 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine?
The InChIKey is ASMXERROSSALJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-19(24-18(21)17-15(20)6-3-7-16(17)25-19)14-5-2-4-12(8-14)13-9-22-11-23-10-13/h2-11H,1H3,(H2,21,24).
What are the key properties of 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine?
5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine has a molecular weight of 334.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzoxazin-4-amine is sourced from PubChem (CID 71681468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).