4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol

C13H15N3O2 — CID 135978640

IUPAC4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol
SMILESCCOc1cc(-c2nc(C)cc(N)n2)ccc1O
InChIInChI=1S/C13H15N3O2/c1-3-18-11-7-9(4-5-10(11)17)13-15-8(2)6-12(14)16-13/h4-7,17H,3H2,1-2H3,(H2,14,15,16)
InChIKeyXRMGJDOIMZVHCH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.14
Rot. Bonds3

About 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol

4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol (PubChem CID 135978640) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol.

Molecular Properties

Compound Name4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol
PubChem CID135978640
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol
SMILESCCOc1cc(-c2nc(C)cc(N)n2)ccc1O
InChIInChI=1S/C13H15N3O2/c1-3-18-11-7-9(4-5-10(11)17)13-15-8(2)6-12(14)16-13/h4-7,17H,3H2,1-2H3,(H2,14,15,16)
InChIKeyXRMGJDOIMZVHCH-UHFFFAOYSA-N
XLogP2.14
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-amino-6-tert-butylpyrimidin-2-yl)-2-ethoxyphenol
CID 135978681
4-amino-2-ethoxyphenol
CID 12856010
4-(5-amino-1,3,4-oxadiazol-2-yl)-2-ethoxyphenol
CID 137204559
diethyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 135662922
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine
CID 66479676
2,4-diamino-6-(3-ethoxy-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396033
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96668570
4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol
CID 136927532
4-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxyphenol
CID 136822415
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol?
The IUPAC name of 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol (CID 135978640) is 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol.
What is the SMILES notation for 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol?
The canonical SMILES for 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol is CCOc1cc(-c2nc(C)cc(N)n2)ccc1O.
What is the InChIKey of 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol?
The InChIKey is XRMGJDOIMZVHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-11-7-9(4-5-10(11)17)13-15-8(2)6-12(14)16-13/h4-7,17H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol?
4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol has a molecular weight of 245.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6-methylpyrimidin-2-yl)-2-ethoxyphenol is sourced from PubChem (CID 135978640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).