4-[[(4-amino-2-pyridinyl)amino]methyl]phenol

C12H13N3O — CID 115029128

IUPAC4-[[(4-amino-2-pyridinyl)amino]methyl]phenol
SMILESNc1ccnc(NCc2ccc(O)cc2)c1
InChIInChI=1S/C12H13N3O/c13-10-5-6-14-12(7-10)15-8-9-1-3-11(16)4-2-9/h1-7,16H,8H2,(H3,13,14,15)
InChIKeyMUSAZVDJXJENKH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds3

About 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol

4-[[(4-amino-2-pyridinyl)amino]methyl]phenol (PubChem CID 115029128) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(4-amino-2-pyridinyl)amino]methyl]phenol
PubChem CID115029128
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-[[(4-amino-2-pyridinyl)amino]methyl]phenol
SMILESNc1ccnc(NCc2ccc(O)cc2)c1
InChIInChI=1S/C12H13N3O/c13-10-5-6-14-12(7-10)15-8-9-1-3-11(16)4-2-9/h1-7,16H,8H2,(H3,13,14,15)
InChIKeyMUSAZVDJXJENKH-UHFFFAOYSA-N
XLogP1.98
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
CID 106196676
2-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,4-diamine
CID 114954576
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
CID 62117304
2-[(4-ethylphenyl)methylamino]pyridine-4-carbothioamide
CID 106899895
2-[2-[(4-amino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234601
2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine
CID 115515530
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
CID 82674382
2-amino-5-[(pyridin-2-ylamino)methyl]phenol
CID 69342170
2-(benzylamino)pyridine-4-carbothioamide
CID 24710183

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol (CID 115029128) is 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol is Nc1ccnc(NCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol?
The InChIKey is MUSAZVDJXJENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-10-5-6-14-12(7-10)15-8-9-1-3-11(16)4-2-9/h1-7,16H,8H2,(H3,13,14,15).
What are the key properties of 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol?
4-[[(4-amino-2-pyridinyl)amino]methyl]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 115029128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).