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

C12H22N4O2 — CID 106141783

IUPAC1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCOc1ccc(N)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-12(17,8-16(2)3)7-14-11-9(13)5-6-10(15-11)18-4/h5-6,17H,7-8,13H2,1-4H3,(H,14,15)
InChIKeyMVRUQPLDHIXUDG-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.40
Rot. Bonds6

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

1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106141783) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106141783
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCOc1ccc(N)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-12(17,8-16(2)3)7-14-11-9(13)5-6-10(15-11)18-4/h5-6,17H,7-8,13H2,1-4H3,(H,14,15)
InChIKeyMVRUQPLDHIXUDG-UHFFFAOYSA-N
XLogP0.40
TPSA83.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-amino-6-methyl-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141588
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141779
6-methoxy-2-N-(2-methylprop-2-enyl)pyridine-2,3-diamine
CID 114615186
3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116624
6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115320787
1-(dimethylamino)-3-[(2-methoxy-4-pyridinyl)amino]-2-methylpropan-2-ol
CID 106145654
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845624
2-N-butyl-6-methoxypyridine-2,3-diamine
CID 115320288
ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
CID 113286520
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106141783) is 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is COc1ccc(N)c(NCC(C)(O)CN(C)C)n1.
What is the InChIKey of 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is MVRUQPLDHIXUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(17,8-16(2)3)7-14-11-9(13)5-6-10(15-11)18-4/h5-6,17H,7-8,13H2,1-4H3,(H,14,15).
What are the key properties of 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106141783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).