3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol

C10H17N3O2 — CID 66170315

IUPAC3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCc1ccnc(NCC(C)(O)CO)c1N
InChIInChI=1S/C10H17N3O2/c1-7-3-4-12-9(8(7)11)13-5-10(2,15)6-14/h3-4,14-15H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyWFQNVUKTAPIHAS-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.13
Rot. Bonds4

About 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol

3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol (PubChem CID 66170315) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
PubChem CID66170315
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
SMILESCc1ccnc(NCC(C)(O)CO)c1N
InChIInChI=1S/C10H17N3O2/c1-7-3-4-12-9(8(7)11)13-5-10(2,15)6-14/h3-4,14-15H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyWFQNVUKTAPIHAS-UHFFFAOYSA-N
XLogP0.13
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol 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

2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 65034190
3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 116796093
5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976247
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331288
1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151118
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 79718907
3-amino-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carbonitrile
CID 114163186
3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 106141918
1-[(3-amino-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 65103157
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 80851174

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol (CID 66170315) is 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol is Cc1ccnc(NCC(C)(O)CO)c1N.
What is the InChIKey of 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
The InChIKey is WFQNVUKTAPIHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-3-4-12-9(8(7)11)13-5-10(2,15)6-14/h3-4,14-15H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol?
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol has a molecular weight of 211.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66170315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).