2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol

C13H15N3O — CID 82681088

IUPAC2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
SMILESCc1ccnc(NCc2cccc(C)c2O)n1
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-11(12(9)17)8-15-13-14-7-6-10(2)16-13/h3-7,17H,8H2,1-2H3,(H,14,15,16)
InChIKeyBBZWGXXAUGCYNJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.41
Rot. Bonds3

About 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol

2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol (PubChem CID 82681088) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
PubChem CID82681088
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
SMILESCc1ccnc(NCc2cccc(C)c2O)n1
InChIInChI=1S/C13H15N3O/c1-9-4-3-5-11(12(9)17)8-15-13-14-7-6-10(2)16-13/h3-7,17H,8H2,1-2H3,(H,14,15,16)
InChIKeyBBZWGXXAUGCYNJ-UHFFFAOYSA-N
XLogP2.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-4-ylmethyl)-4-methylpyrimidin-2-amine
CID 146147973
4-amino-2-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol
CID 62960195
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine
CID 75436410
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
CID 112553810
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889893
2-N-[(2-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112881992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol (CID 82681088) is 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol is Cc1ccnc(NCc2cccc(C)c2O)n1.
What is the InChIKey of 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol?
The InChIKey is BBZWGXXAUGCYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-3-5-11(12(9)17)8-15-13-14-7-6-10(2)16-13/h3-7,17H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol?
2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(4-methylpyrimidin-2-yl)amino]methyl]phenol is sourced from PubChem (CID 82681088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).