[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone

C19H17FN4O2 — CID 135517331

IUPAC[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(O)c(-c3ccnc(N)n3)c2)c(F)c1
InChIInChI=1S/C19H17FN4O2/c1-24(2)12-4-5-13(15(20)10-12)18(26)11-3-6-17(25)14(9-11)16-7-8-22-19(21)23-16/h3-10,25H,1-2H3,(H2,21,22,23)
InChIKeyFEXGEYPPXPYBPQ-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.87
Rot. Bonds4

About [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone

[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone (PubChem CID 135517331) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone
PubChem CID135517331
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(O)c(-c3ccnc(N)n3)c2)c(F)c1
InChIInChI=1S/C19H17FN4O2/c1-24(2)12-4-5-13(15(20)10-12)18(26)11-3-6-17(25)14(9-11)16-7-8-22-19(21)23-16/h3-10,25H,1-2H3,(H2,21,22,23)
InChIKeyFEXGEYPPXPYBPQ-UHFFFAOYSA-N
XLogP2.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]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-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone (CID 135517331) is [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone is CN(C)c1ccc(C(=O)c2ccc(O)c(-c3ccnc(N)n3)c2)c(F)c1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone?
The InChIKey is FEXGEYPPXPYBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-24(2)12-4-5-13(15(20)10-12)18(26)11-3-6-17(25)14(9-11)16-7-8-22-19(21)23-16/h3-10,25H,1-2H3,(H2,21,22,23).
What are the key properties of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone?
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone has a molecular weight of 352.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone is sourced from PubChem (CID 135517331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).