2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol

C19H18ClN3O2 — CID 2033894

IUPAC2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C19H18ClN3O2/c1-3-25-14-8-9-15(16(24)10-14)18-17(11(2)22-19(21)23-18)12-4-6-13(20)7-5-12/h4-10,24H,3H2,1-2H3,(H2,21,22,23)
InChIKeyORFGEPTUDRQERT-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.46
Rot. Bonds4

About 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol

2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol (PubChem CID 2033894) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol
PubChem CID2033894
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C19H18ClN3O2/c1-3-25-14-8-9-15(16(24)10-14)18-17(11(2)22-19(21)23-18)12-4-6-13(20)7-5-12/h4-10,24H,3H2,1-2H3,(H2,21,22,23)
InChIKeyORFGEPTUDRQERT-UHFFFAOYSA-N
XLogP4.46
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol?
The IUPAC name of 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol (CID 2033894) is 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol is CCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol?
The InChIKey is ORFGEPTUDRQERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-3-25-14-8-9-15(16(24)10-14)18-17(11(2)22-19(21)23-18)12-4-6-13(20)7-5-12/h4-10,24H,3H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol?
2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol has a molecular weight of 355.83 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-ethoxyphenol is sourced from PubChem (CID 2033894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).