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

C20H21N3O4 — CID 156704948

IUPAC2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccc(C)cc2)nc1OCCO
InChIInChI=1S/C20H21N3O4/c1-13-7-9-14(10-8-13)19-22-18(21)17(20(23-19)26-12-11-24)27-16-6-4-3-5-15(16)25-2/h3-10,24H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyLCUCBJAIBPDUSH-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.21
Rot. Bonds7

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

2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol (PubChem CID 156704948) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol
PubChem CID156704948
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccc(C)cc2)nc1OCCO
InChIInChI=1S/C20H21N3O4/c1-13-7-9-14(10-8-13)19-22-18(21)17(20(23-19)26-12-11-24)27-16-6-4-3-5-15(16)25-2/h3-10,24H,11-12H2,1-2H3,(H2,21,22,23)
InChIKeyLCUCBJAIBPDUSH-UHFFFAOYSA-N
XLogP3.21
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol (CID 156704948) is 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol is COc1ccccc1Oc1c(N)nc(-c2ccc(C)cc2)nc1OCCO.
What is the InChIKey of 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol?
The InChIKey is LCUCBJAIBPDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-7-9-14(10-8-13)19-22-18(21)17(20(23-19)26-12-11-24)27-16-6-4-3-5-15(16)25-2/h3-10,24H,11-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol?
2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol has a molecular weight of 367.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 156704948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).