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

C19H19N3O3 — CID 4901031

IUPAC2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2c(C)nc(N)nc2-c2ccc(OC)cc2O)cc1
InChIInChI=1S/C19H19N3O3/c1-11-17(12-4-6-13(24-2)7-5-12)18(22-19(20)21-11)15-9-8-14(25-3)10-16(15)23/h4-10,23H,1-3H3,(H2,20,21,22)
InChIKeyFUTFMSWVOLJOQB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.42
Rot. Bonds4

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

2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol (PubChem CID 4901031) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol
PubChem CID4901031
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2c(C)nc(N)nc2-c2ccc(OC)cc2O)cc1
InChIInChI=1S/C19H19N3O3/c1-11-17(12-4-6-13(24-2)7-5-12)18(22-19(20)21-11)15-9-8-14(25-3)10-16(15)23/h4-10,23H,1-3H3,(H2,20,21,22)
InChIKeyFUTFMSWVOLJOQB-UHFFFAOYSA-N
XLogP3.42
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol (CID 4901031) is 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OC)cc2O)cc1.
What is the InChIKey of 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is FUTFMSWVOLJOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-17(12-4-6-13(24-2)7-5-12)18(22-19(20)21-11)15-9-8-14(25-3)10-16(15)23/h4-10,23H,1-3H3,(H2,20,21,22).
What are the key properties of 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 337.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]-5-methoxyphenol is sourced from PubChem (CID 4901031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).