3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

C12H21N3O2 — CID 114155171

IUPAC3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCOc1nc(NC(C)(C)C(C)(C)O)ccc1N
InChIInChI=1S/C12H21N3O2/c1-11(2,12(3,4)16)15-9-7-6-8(13)10(14-9)17-5/h6-7,16H,13H2,1-5H3,(H,14,15)
InChIKeyOMOINWSGNIDATG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.63
Rot. Bonds4

About 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 114155171) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID114155171
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCOc1nc(NC(C)(C)C(C)(C)O)ccc1N
InChIInChI=1S/C12H21N3O2/c1-11(2,12(3,4)16)15-9-7-6-8(13)10(14-9)17-5/h6-7,16H,13H2,1-5H3,(H,14,15)
InChIKeyOMOINWSGNIDATG-UHFFFAOYSA-N
XLogP1.63
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

2-[(5-amino-6-methoxy-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 43498830
6-methoxy-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 43261292
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
2-[(5-amino-6-methoxy-2-pyridinyl)amino]acetamide
CID 43260954
6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 114169053
2-N-benzyl-6-methoxypyridine-2,5-diamine
CID 43261004
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568213
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-1-phenylethanol
CID 43498862
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65102710
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65123093
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 55259668

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (CID 114155171) is 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is COc1nc(NC(C)(C)C(C)(C)O)ccc1N.
What is the InChIKey of 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is OMOINWSGNIDATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2,12(3,4)16)15-9-7-6-8(13)10(14-9)17-5/h6-7,16H,13H2,1-5H3,(H,14,15).
What are the key properties of 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114155171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).