1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol

C12H21N3O2 — CID 106145654

IUPAC1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCOc1cc(NCC(C)(O)CN(C)C)ccn1
InChIInChI=1S/C12H21N3O2/c1-12(16,9-15(2)3)8-14-10-5-6-13-11(7-10)17-4/h5-7,16H,8-9H2,1-4H3,(H,13,14)
InChIKeyOQCSLBLDMCQBGA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.81
Rot. Bonds6

About 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol (PubChem CID 106145654) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
PubChem CID106145654
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCOc1cc(NCC(C)(O)CN(C)C)ccn1
InChIInChI=1S/C12H21N3O2/c1-12(16,9-15(2)3)8-14-10-5-6-13-11(7-10)17-4/h5-7,16H,8-9H2,1-4H3,(H,13,14)
InChIKeyOQCSLBLDMCQBGA-UHFFFAOYSA-N
XLogP0.81
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylamino)-3-[(2-hydrazinyl-4-pyridinyl)amino]-2-methylpropan-2-ol
CID 106150346
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
CID 114283843
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050
1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141783
N-[(1-aminocyclobutyl)methyl]-2-methoxypyridin-4-amine
CID 103354198
1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141886
2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
2-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzonitrile
CID 114149087
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759
1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141779

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol (CID 106145654) is 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol is COc1cc(NCC(C)(O)CN(C)C)ccn1.
What is the InChIKey of 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol?
The InChIKey is OQCSLBLDMCQBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(16,9-15(2)3)8-14-10-5-6-13-11(7-10)17-4/h5-7,16H,8-9H2,1-4H3,(H,13,14).
What are the key properties of 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 106145654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).