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

C20H18FN3O4 — CID 135525303

IUPAC[3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(OCCO)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C20H18FN3O4/c1-11-2-4-13(15(21)8-11)19(27)12-3-5-17(26)14(9-12)16-10-18(28-7-6-25)24-20(22)23-16/h2-5,8-10,25-26H,6-7H2,1H3,(H2,22,23,24)
InChIKeyCIRGTVIKCBLKRL-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.48
Rot. Bonds6

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

[3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 135525303) has the molecular formula C20H18FN3O4 and a molecular weight of 383.38 g/mol. Its IUPAC name is [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID135525303
Molecular FormulaC20H18FN3O4
Molecular Weight383.38 g/mol
Exact Mass383.13
IUPAC Name[3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(-c3cc(OCCO)nc(N)n3)c2)c(F)c1
InChIInChI=1S/C20H18FN3O4/c1-11-2-4-13(15(21)8-11)19(27)12-3-5-17(26)14(9-12)16-10-18(28-7-6-25)24-20(22)23-16/h2-5,8-10,25-26H,6-7H2,1H3,(H2,22,23,24)
InChIKeyCIRGTVIKCBLKRL-UHFFFAOYSA-N
XLogP2.48
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-[2-amino-6-(2-hydroxyethoxy)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

Frequently Asked Questions

What is the IUPAC name of [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (CID 135525303) is [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(O)c(-c3cc(OCCO)nc(N)n3)c2)c(F)c1.
What is the InChIKey of [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is CIRGTVIKCBLKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4/c1-11-2-4-13(15(21)8-11)19(27)12-3-5-17(26)14(9-12)16-10-18(28-7-6-25)24-20(22)23-16/h2-5,8-10,25-26H,6-7H2,1H3,(H2,22,23,24).
What are the key properties of [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
[3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 383.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-amino-6-(2-hydroxyethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 135525303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).