[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol

C14H17N3O — CID 107231455

IUPAC[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCc1cc(N)cnc1NCc1ccc(CO)cc1
InChIInChI=1S/C14H17N3O/c1-10-6-13(15)8-17-14(10)16-7-11-2-4-12(9-18)5-3-11/h2-6,8,18H,7,9,15H2,1H3,(H,16,17)
InChIKeyNZGCXXJZLPFQOX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.08
Rot. Bonds4

About [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol

[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 107231455) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID107231455
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCc1cc(N)cnc1NCc1ccc(CO)cc1
InChIInChI=1S/C14H17N3O/c1-10-6-13(15)8-17-14(10)16-7-11-2-4-12(9-18)5-3-11/h2-6,8,18H,7,9,15H2,1H3,(H,16,17)
InChIKeyNZGCXXJZLPFQOX-UHFFFAOYSA-N
XLogP2.08
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol (CID 107231455) is [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol is Cc1cc(N)cnc1NCc1ccc(CO)cc1.
What is the InChIKey of [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is NZGCXXJZLPFQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-13(15)8-17-14(10)16-7-11-2-4-12(9-18)5-3-11/h2-6,8,18H,7,9,15H2,1H3,(H,16,17).
What are the key properties of [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 243.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107231455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).