1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol

C11H18ClN3O — CID 106290230

IUPAC1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3O/c1-3-6-11(2,16)7-14-10-8(13)4-5-9(12)15-10/h4-5,16H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyQDRPTGYBMVHHMQ-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.28
Rot. Bonds5

About 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol

1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol (PubChem CID 106290230) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol
PubChem CID106290230
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3O/c1-3-6-11(2,16)7-14-10-8(13)4-5-9(12)15-10/h4-5,16H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyQDRPTGYBMVHHMQ-UHFFFAOYSA-N
XLogP2.28
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-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

6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 115474096
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 115515354
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296405
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296292
1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141588
3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile
CID 106290624
2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol
CID 113234742
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol (CID 106290230) is 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1nc(Cl)ccc1N.
What is the InChIKey of 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol?
The InChIKey is QDRPTGYBMVHHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-3-6-11(2,16)7-14-10-8(13)4-5-9(12)15-10/h4-5,16H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol?
1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol has a molecular weight of 243.74 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106290230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).