4-[(5-amino-2-pyridinyl)amino]butan-2-ol

C9H15N3O — CID 64928844

IUPAC4-[(5-amino-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1ccc(N)cn1
InChIInChI=1S/C9H15N3O/c1-7(13)4-5-11-9-3-2-8(10)6-12-9/h2-3,6-7,13H,4-5,10H2,1H3,(H,11,12)
InChIKeyZQFKNIXBDCOIPF-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds4

About 4-[(5-amino-2-pyridinyl)amino]butan-2-ol

4-[(5-amino-2-pyridinyl)amino]butan-2-ol (PubChem CID 64928844) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[(5-amino-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-amino-2-pyridinyl)amino]butan-2-ol
PubChem CID64928844
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-[(5-amino-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1ccc(N)cn1
InChIInChI=1S/C9H15N3O/c1-7(13)4-5-11-9-3-2-8(10)6-12-9/h2-3,6-7,13H,4-5,10H2,1H3,(H,11,12)
InChIKeyZQFKNIXBDCOIPF-UHFFFAOYSA-N
XLogP0.85
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
(2S)-4-[(5-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130918484
3-[(5-amino-2-pyridinyl)amino]propanamide
CID 43553393
2-N-(2,3-dimethylbutyl)pyridine-2,5-diamine
CID 64570407
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897
2-N-hexylpyridine-2,5-diamine
CID 21487111
2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine
CID 117044524
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
2-N-ethylpyridine-2,5-diamine;hydrochloride
CID 134080457
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331443
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-[(5-amino-2-pyridinyl)amino]butan-2-ol (CID 64928844) is 4-[(5-amino-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(5-amino-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-[(5-amino-2-pyridinyl)amino]butan-2-ol is CC(O)CCNc1ccc(N)cn1.
What is the InChIKey of 4-[(5-amino-2-pyridinyl)amino]butan-2-ol?
The InChIKey is ZQFKNIXBDCOIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(13)4-5-11-9-3-2-8(10)6-12-9/h2-3,6-7,13H,4-5,10H2,1H3,(H,11,12).
What are the key properties of 4-[(5-amino-2-pyridinyl)amino]butan-2-ol?
4-[(5-amino-2-pyridinyl)amino]butan-2-ol has a molecular weight of 181.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 64928844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).