2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol

C20H21N3O2 — CID 135960781

IUPAC2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol
SMILESCC(C)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C20H21N3O2/c1-13(2)12-25-15-9-7-14(8-10-15)17-11-22-20(21)23-19(17)16-5-3-4-6-18(16)24/h3-11,13,24H,12H2,1-2H3,(H2,21,22,23)
InChIKeyUTZWFPUPRXYMFK-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.13
Rot. Bonds5

About 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol

2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol (PubChem CID 135960781) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol
PubChem CID135960781
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol
SMILESCC(C)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C20H21N3O2/c1-13(2)12-25-15-9-7-14(8-10-15)17-11-22-20(21)23-19(17)16-5-3-4-6-18(16)24/h3-11,13,24H,12H2,1-2H3,(H2,21,22,23)
InChIKeyUTZWFPUPRXYMFK-UHFFFAOYSA-N
XLogP4.13
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol 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

2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
CID 135960803
2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
CID 135960806
2-(2-amino-5-phenylpyrimidin-4-yl)-5-propan-2-yloxyphenol
CID 135856927
4-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-amine
CID 61393233
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
2-[2-amino-5-(4-bromophenyl)pyrimidin-4-yl]-5-[(3-chlorophenyl)methoxy]phenol
CID 135652265
4-[4-(2-methylpropoxy)phenyl]phthalazin-1-amine
CID 82192731
ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851374
2-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]-5-methoxyphenol
CID 1068801
[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
CID 82453206
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
CID 2002675

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol (CID 135960781) is 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol is CC(C)COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol?
The InChIKey is UTZWFPUPRXYMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(2)12-25-15-9-7-14(8-10-15)17-11-22-20(21)23-19(17)16-5-3-4-6-18(16)24/h3-11,13,24H,12H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol?
2-[2-amino-5-[4-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol has a molecular weight of 335.41 g/mol, XLogP of 4.13, 5 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-(2-methylpropoxy)phenyl]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).