2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol

C20H21N3O4 — CID 166636085

IUPAC2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
SMILESCOc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1OCCO
InChIInChI=1S/C20H21N3O4/c1-25-15-9-5-6-10-16(15)27-18-19(21)22-17(23-20(18)26-12-11-24)13-14-7-3-2-4-8-14/h2-10,24H,11-13H2,1H3,(H2,21,22,23)
InChIKeyHWWHAWLYKYRLIV-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.82
Rot. Bonds8

About 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol

2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol (PubChem CID 166636085) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
PubChem CID166636085
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
SMILESCOc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1OCCO
InChIInChI=1S/C20H21N3O4/c1-25-15-9-5-6-10-16(15)27-18-19(21)22-17(23-20(18)26-12-11-24)13-14-7-3-2-4-8-14/h2-10,24H,11-13H2,1H3,(H2,21,22,23)
InChIKeyHWWHAWLYKYRLIV-UHFFFAOYSA-N
XLogP2.82
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol 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

N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 9871561
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-yl]benzenesulfonamide
CID 19095644
2-[6-Amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol
CID 156704948
2-[6-Amino-2-(3-bromophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704954
2-[6-Amino-2-(3-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704957
6-Chloro-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704961
6-Chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 156704962
6-Chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine
CID 156704966
6-Chloro-2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704967
2-[6-Amino-2-(3-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704973
2-Benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 166626381
5-Methoxy-4-(2-methylphenoxy)-2-phenylpyrimidine
CID 1472564

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol (CID 166636085) is 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol is COc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1OCCO.
What is the InChIKey of 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol?
The InChIKey is HWWHAWLYKYRLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-15-9-5-6-10-16(15)27-18-19(21)22-17(23-20(18)26-12-11-24)13-14-7-3-2-4-8-14/h2-10,24H,11-13H2,1H3,(H2,21,22,23).
What are the key properties of 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol?
2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol has a molecular weight of 367.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 166636085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).