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

C18H16ClN3O2 — CID 2000582

IUPAC2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H16ClN3O2/c1-2-24-13-7-8-14(16(23)9-13)17-15(10-21-18(20)22-17)11-3-5-12(19)6-4-11/h3-10,23H,2H2,1H3,(H2,20,21,22)
InChIKeySTRUXRRMGXYREQ-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.15
Rot. Bonds4

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

2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol (PubChem CID 2000582) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol
PubChem CID2000582
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H16ClN3O2/c1-2-24-13-7-8-14(16(23)9-13)17-15(10-21-18(20)22-17)11-3-5-12(19)6-4-11/h3-10,23H,2H2,1H3,(H2,20,21,22)
InChIKeySTRUXRRMGXYREQ-UHFFFAOYSA-N
XLogP4.15
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-Chlorophenyl)-2-methylpyrimidin-4-yl]-5-methoxyphenol
CID 1966704
2-[5-(4-Chlorophenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 1996860
2-[5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl]-5-ethoxyphenol
CID 4895475
2-[2-Amino-5-(3-methoxyphenoxy)pyrimidin-4-yl]-5-methoxyphenol
CID 665808
2-(2-Amino-5-(4-chlorophenyl)pyrimidin-4-yl)-5-methoxyphenol
CID 3747532
2-(2-Amino-5-phenylpyrimidin-4-yl)-5-methoxyphenol
CID 764017
2-(5-(2-Methoxyphenyl)pyrimidin-4-yl)-5-((2-methylallyl)oxy)phenol
CID 1842405
2-[2-Amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 4896012
2-(5-(3,4-Dimethoxyphenyl)pyrimidin-4-yl)-5-methoxyphenol
CID 4971528
2-[2-Amino-5-(4-methoxyphenyl)pyrimidin-4-yl]-5-methoxyphenol
CID 665723
5-Methoxy-2-[5-(3-methoxyphenoxy)pyrimidin-4-yl]phenol
CID 665819
5-Ethoxy-2-[5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
CID 665821

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol?
The IUPAC name of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol (CID 2000582) is 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol?
The canonical SMILES for 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol is CCOc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol?
The InChIKey is STRUXRRMGXYREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-2-24-13-7-8-14(16(23)9-13)17-15(10-21-18(20)22-17)11-3-5-12(19)6-4-11/h3-10,23H,2H2,1H3,(H2,20,21,22).
What are the key properties of 2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol?
2-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]-5-ethoxyphenol has a molecular weight of 341.80 g/mol, XLogP of 4.15, 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)pyrimidin-4-yl]-5-ethoxyphenol is sourced from PubChem (CID 2000582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).