[3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

C23H17FN4O2 — CID 135464298

IUPAC[3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(-c4ccncc4)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C23H17FN4O2/c1-13-2-4-16(18(24)10-13)22(30)15-3-5-21(29)17(11-15)20-12-19(27-23(25)28-20)14-6-8-26-9-7-14/h2-12,29H,1H3,(H2,25,27,28)
InChIKeyUBSVDDKIRGEMRG-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.17
Rot. Bonds4

About [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

[3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 135464298) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID135464298
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name[3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(-c4ccncc4)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C23H17FN4O2/c1-13-2-4-16(18(24)10-13)22(30)15-3-5-21(29)17(11-15)20-12-19(27-23(25)28-20)14-6-8-26-9-7-14/h2-12,29H,1H3,(H2,25,27,28)
InChIKeyUBSVDDKIRGEMRG-UHFFFAOYSA-N
XLogP4.17
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone 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 [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (CID 135464298) is [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(O)c(-c3cc(-c4ccncc4)nc(N)n3)c2)c(F)c1.
What is the InChIKey of [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is UBSVDDKIRGEMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-13-2-4-16(18(24)10-13)22(30)15-3-5-21(29)17(11-15)20-12-19(27-23(25)28-20)14-6-8-26-9-7-14/h2-12,29H,1H3,(H2,25,27,28).
What are the key properties of [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
[3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 400.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-pyridin-4-ylpyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 135464298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).