1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

C12H22N4O — CID 106141588

IUPAC1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCc1ccc(N)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C12H22N4O/c1-9-5-6-10(13)11(15-9)14-7-12(2,17)8-16(3)4/h5-6,17H,7-8,13H2,1-4H3,(H,14,15)
InChIKeyJNGKAVULKATJBP-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.70
Rot. Bonds5

About 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106141588) has the molecular formula C12H22N4O and a molecular weight of 238.34 g/mol. Its IUPAC name is 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106141588
Molecular FormulaC12H22N4O
Molecular Weight238.34 g/mol
Exact Mass238.18
IUPAC Name1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCc1ccc(N)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C12H22N4O/c1-9-5-6-10(13)11(15-9)14-7-12(2,17)8-16(3)4/h5-6,17H,7-8,13H2,1-4H3,(H,14,15)
InChIKeyJNGKAVULKATJBP-UHFFFAOYSA-N
XLogP0.70
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141783
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile
CID 103878178
1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150415
1-(dimethylamino)-3-[(2-hydrazinylquinazolin-4-yl)amino]-2-methylpropan-2-ol
CID 106150386
1-[(8-aminoisoquinolin-5-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141945
3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 106141918
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 81132933
1-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 81131762
1-[(5-aminopyrimidin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141561
2-[(3-amino-6-methyl-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845390
1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150169
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-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106141588) is 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is Cc1ccc(N)c(NCC(C)(O)CN(C)C)n1.
What is the InChIKey of 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is JNGKAVULKATJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-5-6-10(13)11(15-9)14-7-12(2,17)8-16(3)4/h5-6,17H,7-8,13H2,1-4H3,(H,14,15).
What are the key properties of 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 238.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106141588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).