[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol

C14H17N3O2 — CID 107232135

IUPAC[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCOc1cc(NCc2cccc(CO)c2)nc(C)n1
InChIInChI=1S/C14H17N3O2/c1-10-16-13(7-14(17-10)19-2)15-8-11-4-3-5-12(6-11)9-18/h3-7,18H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyWLMIAMVMJUOCTK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.90
Rot. Bonds5

About [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol

[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 107232135) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID107232135
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCOc1cc(NCc2cccc(CO)c2)nc(C)n1
InChIInChI=1S/C14H17N3O2/c1-10-16-13(7-14(17-10)19-2)15-8-11-4-3-5-12(6-11)9-18/h3-7,18H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyWLMIAMVMJUOCTK-UHFFFAOYSA-N
XLogP1.90
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol 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

[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
CID 115355459
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
N-benzyl-2-ethyl-6-methoxypyrimidin-4-amine
CID 82453753
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266696
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013
N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 55031927

Frequently Asked Questions

What is the IUPAC name of [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol (CID 107232135) is [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol is COc1cc(NCc2cccc(CO)c2)nc(C)n1.
What is the InChIKey of [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is WLMIAMVMJUOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-16-13(7-14(17-10)19-2)15-8-11-4-3-5-12(6-11)9-18/h3-7,18H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 259.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107232135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).