2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol

C12H21N3O2 — CID 43498929

IUPAC2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-8(7-16)14-10-6-5-9(13)11(15-10)17-12(2,3)4/h5-6,8,16H,7,13H2,1-4H3,(H,14,15)
InChIKeyVDHOFGRYTVDLKI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.63
Rot. Bonds4

About 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol

2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol (PubChem CID 43498929) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol
PubChem CID43498929
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-8(7-16)14-10-6-5-9(13)11(15-10)17-12(2,3)4/h5-6,8,16H,7,13H2,1-4H3,(H,14,15)
InChIKeyVDHOFGRYTVDLKI-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 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol with MolForge

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Related Compounds

(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79248758
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol
CID 106155064
2-N-heptan-2-yl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402670
2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 104827461
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930
2-N-(3-ethylpentan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63842748
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 43567853
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106167469
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103106719
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol
CID 106119798
6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 106289927

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol (CID 43498929) is 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol is CC(CO)Nc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is VDHOFGRYTVDLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(7-16)14-10-6-5-9(13)11(15-10)17-12(2,3)4/h5-6,8,16H,7,13H2,1-4H3,(H,14,15).
What are the key properties of 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol?
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-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 2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 43498929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).