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

C17H16N4O — CID 108773738

IUPAC2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol
SMILESCc1cc(N(Cc2ccccn2)c2ccccc2O)ncn1
InChIInChI=1S/C17H16N4O/c1-13-10-17(20-12-19-13)21(11-14-6-4-5-9-18-14)15-7-2-3-8-16(15)22/h2-10,12,22H,11H2,1H3
InChIKeyUQGSQZDURUAEAH-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.22
Rot. Bonds4

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

2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol (PubChem CID 108773738) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol.

Molecular Properties

Compound Name2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol
PubChem CID108773738
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol
SMILESCc1cc(N(Cc2ccccn2)c2ccccc2O)ncn1
InChIInChI=1S/C17H16N4O/c1-13-10-17(20-12-19-13)21(11-14-6-4-5-9-18-14)15-7-2-3-8-16(15)22/h2-10,12,22H,11H2,1H3
InChIKeyUQGSQZDURUAEAH-UHFFFAOYSA-N
XLogP3.22
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
N-(2-hydroxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 108732451
ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylpyrimidine-5-carboxylate
CID 108773733
3-[bis(pyridin-2-ylmethyl)amino]-4-methylphenol
CID 22223339
ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 108773745
ethyl 4-[2-hydroxy-N-(pyridin-2-ylmethyl)anilino]-2-phenylpyrimidine-5-carboxylate
CID 108773752
ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 143251058
N-(2-hydroxyphenyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 108781417
2,2,2-trifluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108755903
N'-hydroxy-3-(N-(6-methylpyrimidin-4-yl)anilino)propanimidamide
CID 61224912
6-methyl-4-[methyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81232216
4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
CID 108732561

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol?
The IUPAC name of 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol (CID 108773738) is 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol.
What is the SMILES notation for 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol?
The canonical SMILES for 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol is Cc1cc(N(Cc2ccccn2)c2ccccc2O)ncn1.
What is the InChIKey of 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol?
The InChIKey is UQGSQZDURUAEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-10-17(20-12-19-13)21(11-14-6-4-5-9-18-14)15-7-2-3-8-16(15)22/h2-10,12,22H,11H2,1H3.
What are the key properties of 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol?
2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol has a molecular weight of 292.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylpyrimidin-4-yl)-(pyridin-2-ylmethyl)amino]phenol is sourced from PubChem (CID 108773738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).