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

C14H17N3O — CID 107231544

IUPAC[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCc1cnc(NCc2ccc(CO)cc2)cc1N
InChIInChI=1S/C14H17N3O/c1-10-7-16-14(6-13(10)15)17-8-11-2-4-12(9-18)5-3-11/h2-7,18H,8-9H2,1H3,(H3,15,16,17)
InChIKeyRDSDCCWRERJSIV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.08
Rot. Bonds4

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

[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 107231544) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID107231544
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCc1cnc(NCc2ccc(CO)cc2)cc1N
InChIInChI=1S/C14H17N3O/c1-10-7-16-14(6-13(10)15)17-8-11-2-4-12(9-18)5-3-11/h2-7,18H,8-9H2,1H3,(H3,15,16,17)
InChIKeyRDSDCCWRERJSIV-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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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
CID 106899259
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231455
[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol
CID 107232489
2-[(4-amino-5-methyl-2-pyridinyl)amino]-2-methylpropane-1,3-diol
CID 83265169
5-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83265932
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 114164166
4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
CID 79175645
2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
CID 83266255
2-N-(2,3-dimethylbutyl)-5-methylpyridine-2,4-diamine
CID 83266034
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol (CID 107231544) is [4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol is Cc1cnc(NCc2ccc(CO)cc2)cc1N.
What is the InChIKey of [4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is RDSDCCWRERJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-7-16-14(6-13(10)15)17-8-11-2-4-12(9-18)5-3-11/h2-7,18H,8-9H2,1H3,(H3,15,16,17).
What are the key properties of [4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
[4-[[(4-amino-5-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-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107231544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).