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

C18H16ClN3O2 — CID 3426854

IUPAC2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H16ClN3O2/c1-10-16(11-3-5-12(19)6-4-11)17(22-18(20)21-10)14-8-7-13(24-2)9-15(14)23/h3-9,23H,1-2H3,(H2,20,21,22)
InChIKeyHLVGEAXWIMPDJQ-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.07
Rot. Bonds3

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

2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol (PubChem CID 3426854) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol
PubChem CID3426854
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H16ClN3O2/c1-10-16(11-3-5-12(19)6-4-11)17(22-18(20)21-10)14-8-7-13(24-2)9-15(14)23/h3-9,23H,1-2H3,(H2,20,21,22)
InChIKeyHLVGEAXWIMPDJQ-UHFFFAOYSA-N
XLogP4.07
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol (CID 3426854) is 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-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-methoxyphenol?
The InChIKey is HLVGEAXWIMPDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-10-16(11-3-5-12(19)6-4-11)17(22-18(20)21-10)14-8-7-13(24-2)9-15(14)23/h3-9,23H,1-2H3,(H2,20,21,22).
What are the key properties of 2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 341.80 g/mol, XLogP of 4.07, 3 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-methoxyphenol is sourced from PubChem (CID 3426854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).