6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine

C12H19N3O — CID 105477999

IUPAC6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine
SMILESCOc1nc2c(cc1N)CN(C(C)(C)C)C2
InChIInChI=1S/C12H19N3O/c1-12(2,3)15-6-8-5-9(13)11(16-4)14-10(8)7-15/h5H,6-7,13H2,1-4H3
InChIKeyCNDIOOMFXLSQAJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.79
Rot. Bonds1

About 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine

6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine (PubChem CID 105477999) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine
PubChem CID105477999
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine
SMILESCOc1nc2c(cc1N)CN(C(C)(C)C)C2
InChIInChI=1S/C12H19N3O/c1-12(2,3)15-6-8-5-9(13)11(16-4)14-10(8)7-15/h5H,6-7,13H2,1-4H3
InChIKeyCNDIOOMFXLSQAJ-UHFFFAOYSA-N
XLogP1.79
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-amine
CID 105438665
2,6-dimethoxypyridine-3,5-diamine;dihydrochloride
CID 3017019
1-(3-amino-2-methoxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)-2,2,2-trifluoroethanone
CID 130229346
5-(1,1-difluoroethyl)-2,6-dimethoxypyridin-3-amine
CID 142578199
(7R)-3-tert-butyl-2-methoxy-6,7-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
CID 168846431
5-fluoro-2,6-dimethoxypyridin-3-amine
CID 150134011
5-tert-butyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 164717001
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxypyridin-3-amine
CID 103493912
methyl 2-(5-tert-butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)acetate
CID 70937957
3-amino-6-tert-butyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 105477997
2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine
CID 115320517
2-methoxy-6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 167476434

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine?
The IUPAC name of 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine (CID 105477999) is 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine is COc1nc2c(cc1N)CN(C(C)(C)C)C2.
What is the InChIKey of 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine?
The InChIKey is CNDIOOMFXLSQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)15-6-8-5-9(13)11(16-4)14-10(8)7-15/h5H,6-7,13H2,1-4H3.
What are the key properties of 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine?
6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methoxy-5,7-dihydropyrrolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 105477999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).