5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol

C12H21N3O — CID 106154628

IUPAC5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCc1ccnc(NCCCC(C)CO)c1N
InChIInChI=1S/C12H21N3O/c1-9(8-16)4-3-6-14-12-11(13)10(2)5-7-15-12/h5,7,9,16H,3-4,6,8,13H2,1-2H3,(H,14,15)
InChIKeyNAANLXHBLSOZQA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.79
Rot. Bonds6

About 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol

5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol (PubChem CID 106154628) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
PubChem CID106154628
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCc1ccnc(NCCCC(C)CO)c1N
InChIInChI=1S/C12H21N3O/c1-9(8-16)4-3-6-14-12-11(13)10(2)5-7-15-12/h5,7,9,16H,3-4,6,8,13H2,1-2H3,(H,14,15)
InChIKeyNAANLXHBLSOZQA-UHFFFAOYSA-N
XLogP1.79
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 65034190
2-N-hex-5-ynyl-4-methylpyridine-2,3-diamine
CID 106215731
1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151118
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170315
N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331288
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol (CID 106154628) is 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol is Cc1ccnc(NCCCC(C)CO)c1N.
What is the InChIKey of 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol?
The InChIKey is NAANLXHBLSOZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(8-16)4-3-6-14-12-11(13)10(2)5-7-15-12/h5,7,9,16H,3-4,6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol?
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106154628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).