[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

C18H14FN3O2 — CID 135444577

IUPAC[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3ccnc(N)n3)c2)c(F)c1
InChIInChI=1S/C18H14FN3O2/c1-10-2-4-12(14(19)8-10)17(24)11-3-5-16(23)13(9-11)15-6-7-21-18(20)22-15/h2-9,23H,1H3,(H2,20,21,22)
InChIKeyURAAGBFIRWEFSS-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.11
Rot. Bonds3

About [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 135444577) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID135444577
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3ccnc(N)n3)c2)c(F)c1
InChIInChI=1S/C18H14FN3O2/c1-10-2-4-12(14(19)8-10)17(24)11-3-5-16(23)13(9-11)15-6-7-21-18(20)22-15/h2-9,23H,1H3,(H2,20,21,22)
InChIKeyURAAGBFIRWEFSS-UHFFFAOYSA-N
XLogP3.11
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(2-aminopyrimidin-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

4-[[4-(4-Fluoro-2-methoxyphenyl)pyrimidin-2-yl]amino]benzoic acid
CID 145977291
4-Hydroxy-3-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 72201876
2-Hydroxy-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoic acid
CID 118307592
2-Hydroxy-5-pyrimidin-4-ylbenzoic acid
CID 136316866
3-[3-Methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzoic acid
CID 118307644
(2-Hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 135006712
2-(3-Fluoro-4-hydroxyphenyl)-6,6-dimethyl-7,8-dihydroquinazolin-5-one
CID 176842726
2-Amino-4-(3-pyridyl)-6-methylpyrimidine, 4-hydroxybenzoic acid
CID 67150282
(2-Hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 135915010
5-[2-(3-Fluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
CID 10088487
5-[2-(3,4-Difluoroanilino)pyrimidin-4-yl]-2-methoxybenzamide
CID 10338326
3-[4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]benzoic Acid
CID 11501372

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (CID 135444577) is [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(O)c(-c3ccnc(N)n3)c2)c(F)c1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is URAAGBFIRWEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-10-2-4-12(14(19)8-10)17(24)11-3-5-16(23)13(9-11)15-6-7-21-18(20)22-15/h2-9,23H,1H3,(H2,20,21,22).
What are the key properties of [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 323.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 135444577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).