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

C19H18IN3O4 — CID 156704971

IUPAC2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccc(I)cc2)nc1OCCO
InChIInChI=1S/C19H18IN3O4/c1-25-14-4-2-3-5-15(14)27-16-17(21)22-18(23-19(16)26-11-10-24)12-6-8-13(20)9-7-12/h2-9,24H,10-11H2,1H3,(H2,21,22,23)
InChIKeyXQKRACGATVFIBE-UHFFFAOYSA-N
MW479.27 g/mol
LogP3.50
Rot. Bonds7

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

2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol (PubChem CID 156704971) has the molecular formula C19H18IN3O4 and a molecular weight of 479.27 g/mol. Its IUPAC name is 2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
PubChem CID156704971
Molecular FormulaC19H18IN3O4
Molecular Weight479.27 g/mol
Exact Mass479.03
IUPAC Name2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccc(I)cc2)nc1OCCO
InChIInChI=1S/C19H18IN3O4/c1-25-14-4-2-3-5-15(14)27-16-17(21)22-18(23-19(16)26-11-10-24)12-6-8-13(20)9-7-12/h2-9,24H,10-11H2,1H3,(H2,21,22,23)
InChIKeyXQKRACGATVFIBE-UHFFFAOYSA-N
XLogP3.50
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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
6-Chloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704955
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-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol?
The IUPAC name of 2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol (CID 156704971) is 2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol?
The canonical SMILES for 2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol is COc1ccccc1Oc1c(N)nc(-c2ccc(I)cc2)nc1OCCO.
What is the InChIKey of 2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol?
The InChIKey is XQKRACGATVFIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18IN3O4/c1-25-14-4-2-3-5-15(14)27-16-17(21)22-18(23-19(16)26-11-10-24)12-6-8-13(20)9-7-12/h2-9,24H,10-11H2,1H3,(H2,21,22,23).
What are the key properties of 2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol?
2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol has a molecular weight of 479.27 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol is sourced from PubChem (CID 156704971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).