2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine

C13H23N3O2 — CID 113449896

IUPAC2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCOC(C)(C)CNc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)18-12-10(14)6-7-11(16-12)15-8-13(3,4)17-5/h6-7,9H,8,14H2,1-5H3,(H,15,16)
InChIKeyPDEFWRPWJIQVDH-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.29
Rot. Bonds6

About 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine

2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 113449896) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID113449896
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
SMILESCOC(C)(C)CNc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)18-12-10(14)6-7-11(16-12)15-8-13(3,4)17-5/h6-7,9H,8,14H2,1-5H3,(H,15,16)
InChIKeyPDEFWRPWJIQVDH-UHFFFAOYSA-N
XLogP2.29
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]acetic acid
CID 62253683
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 114107323
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864556
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184001
6-propan-2-yloxy-2-N-(pyridin-2-ylmethyl)pyridine-2,5-diamine
CID 43261168
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113705
2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64630804

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine (CID 113449896) is 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine is COC(C)(C)CNc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is PDEFWRPWJIQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)18-12-10(14)6-7-11(16-12)15-8-13(3,4)17-5/h6-7,9H,8,14H2,1-5H3,(H,15,16).
What are the key properties of 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 253.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 113449896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).