4-[(3-amino-4-pyridinyl)amino]butan-2-ol

C9H15N3O — CID 64928058

IUPAC4-[(3-amino-4-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1ccncc1N
InChIInChI=1S/C9H15N3O/c1-7(13)2-5-12-9-3-4-11-6-8(9)10/h3-4,6-7,13H,2,5,10H2,1H3,(H,11,12)
InChIKeyXMVURGGVIVQYKH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.85
Rot. Bonds4

About 4-[(3-amino-4-pyridinyl)amino]butan-2-ol

4-[(3-amino-4-pyridinyl)amino]butan-2-ol (PubChem CID 64928058) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[(3-amino-4-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(3-amino-4-pyridinyl)amino]butan-2-ol
PubChem CID64928058
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-[(3-amino-4-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1ccncc1N
InChIInChI=1S/C9H15N3O/c1-7(13)2-5-12-9-3-4-11-6-8(9)10/h3-4,6-7,13H,2,5,10H2,1H3,(H,11,12)
InChIKeyXMVURGGVIVQYKH-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-[(3-amino-4-pyridinyl)amino]pentanamide
CID 106233945
4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
CID 63926910
4-(3-amino-2-methylanilino)butan-2-ol
CID 64928447
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
CID 104827419
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
5-N-(3-methylbutyl)isoquinoline-5,8-diamine
CID 43448707
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
4-N-hex-5-ynylpyridine-3,4-diamine
CID 106215733
4-[2-[(3-amino-4-pyridinyl)amino]ethyl]benzene-1,2-diol;dihydrobromide
CID 3031525

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-[(3-amino-4-pyridinyl)amino]butan-2-ol (CID 64928058) is 4-[(3-amino-4-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(3-amino-4-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-[(3-amino-4-pyridinyl)amino]butan-2-ol is CC(O)CCNc1ccncc1N.
What is the InChIKey of 4-[(3-amino-4-pyridinyl)amino]butan-2-ol?
The InChIKey is XMVURGGVIVQYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(13)2-5-12-9-3-4-11-6-8(9)10/h3-4,6-7,13H,2,5,10H2,1H3,(H,11,12).
What are the key properties of 4-[(3-amino-4-pyridinyl)amino]butan-2-ol?
4-[(3-amino-4-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-[(3-amino-4-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 64928058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).