2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C16H27N3O — CID 63402583

IUPAC2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCCCCN(c1ccc(N)c(OC(C)(C)C)n1)C1CC1
InChIInChI=1S/C16H27N3O/c1-5-6-11-19(12-7-8-12)14-10-9-13(17)15(18-14)20-16(2,3)4/h9-10,12H,5-8,11,17H2,1-4H3
InChIKeyZGHOMPWPWYRONJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.61
Rot. Bonds6

About 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 63402583) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID63402583
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCCCCN(c1ccc(N)c(OC(C)(C)C)n1)C1CC1
InChIInChI=1S/C16H27N3O/c1-5-6-11-19(12-7-8-12)14-10-9-13(17)15(18-14)20-16(2,3)4/h9-10,12H,5-8,11,17H2,1-4H3
InChIKeyZGHOMPWPWYRONJ-UHFFFAOYSA-N
XLogP3.61
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-cyclopropylamino]ethanol
CID 54995191
2-N-cyclopropyl-2-N-(3-methylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 78943781
2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-propylpyridine-2,5-diamine
CID 43270938
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
CID 61242801
2-N-methoxy-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43627557
2-N-cyclopropyl-2-N-(2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 55002162
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 62545515
4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 80799495
2-N-ethyl-2-N-(2-ethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43587829
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 63402583) is 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CCCCN(c1ccc(N)c(OC(C)(C)C)n1)C1CC1.
What is the InChIKey of 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is ZGHOMPWPWYRONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-6-11-19(12-7-8-12)14-10-9-13(17)15(18-14)20-16(2,3)4/h9-10,12H,5-8,11,17H2,1-4H3.
What are the key properties of 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 277.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 63402583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).