2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol

C16H14N4O — CID 122189306

IUPAC2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol
SMILESOc1ccccc1CNc1ncccc1-c1ncccn1
InChIInChI=1S/C16H14N4O/c21-14-7-2-1-5-12(14)11-20-16-13(6-3-8-17-16)15-18-9-4-10-19-15/h1-10,21H,11H2,(H,17,20)
InChIKeyMMKQRQTVUOSSBU-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.86
Rot. Bonds4

About 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol

2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol (PubChem CID 122189306) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol
PubChem CID122189306
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol
SMILESOc1ccccc1CNc1ncccc1-c1ncccn1
InChIInChI=1S/C16H14N4O/c21-14-7-2-1-5-12(14)11-20-16-13(6-3-8-17-16)15-18-9-4-10-19-15/h1-10,21H,11H2,(H,17,20)
InChIKeyMMKQRQTVUOSSBU-UHFFFAOYSA-N
XLogP2.86
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]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

4-[[2-(4-Hydroxyanilino)pyrimidin-4-yl]amino]phenol
CID 3008640
3-({7-Aminopyrido[4,3-d]pyrimidin-4-yl}amino)phenol
CID 5328072
5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
2-(1,8-Naphthyridin-2-yl)phenol
CID 2761113
4-[[2-(4-Hydroxyanilino)-5-methyl-pyrimidin-4-yl]amino]phenol
CID 5271602

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol (CID 122189306) is 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol is Oc1ccccc1CNc1ncccc1-c1ncccn1.
What is the InChIKey of 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol?
The InChIKey is MMKQRQTVUOSSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-14-7-2-1-5-12(14)11-20-16-13(6-3-8-17-16)15-18-9-4-10-19-15/h1-10,21H,11H2,(H,17,20).
What are the key properties of 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol?
2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol has a molecular weight of 278.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 122189306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).