[3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

C23H25FN4O4 — CID 135545808

IUPAC[3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(OCCN(C)CCO)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C23H25FN4O4/c1-14-3-5-16(18(24)11-14)22(31)15-4-6-20(30)17(12-15)19-13-21(27-23(25)26-19)32-10-8-28(2)7-9-29/h3-6,11-13,29-30H,7-10H2,1-2H3,(H2,25,26,27)
InChIKeyFHDKLVCZPMVGBG-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.41
Rot. Bonds9

About [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

[3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 135545808) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID135545808
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name[3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(OCCN(C)CCO)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C23H25FN4O4/c1-14-3-5-16(18(24)11-14)22(31)15-4-6-20(30)17(12-15)19-13-21(27-23(25)26-19)32-10-8-28(2)7-9-29/h3-6,11-13,29-30H,7-10H2,1-2H3,(H2,25,26,27)
InChIKeyFHDKLVCZPMVGBG-UHFFFAOYSA-N
XLogP2.41
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-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

Related Compounds

[3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135525303
[3-[2-amino-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135525430
[3-[2-amino-6-[2-[4-(1-hydroxyethyl)piperazin-1-yl]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 136649172
tert-butyl N-[[2-amino-6-[5-(2-fluoro-4-methylbenzoyl)-2-hydroxyphenyl]-3-pyridinyl]methyl]carbamate
CID 142680286
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-[4-(dimethylamino)-2-fluorophenyl]methanone
CID 135517331
2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135461278
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256

Frequently Asked Questions

What is the IUPAC name of [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (CID 135545808) is [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(O)c(-c3cc(OCCN(C)CCO)nc(N)n3)c2)c(F)c1.
What is the InChIKey of [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is FHDKLVCZPMVGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-14-3-5-16(18(24)11-14)22(31)15-4-6-20(30)17(12-15)19-13-21(27-23(25)26-19)32-10-8-28(2)7-9-29/h3-6,11-13,29-30H,7-10H2,1-2H3,(H2,25,26,27).
What are the key properties of [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
[3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 440.48 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-amino-6-[2-[2-hydroxyethyl(methyl)amino]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 135545808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).