2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol

C13H23N3O3 — CID 107864556

IUPAC2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-4-13(7-17,8-18)16-11-6-5-10(14)12(15-11)19-9(2)3/h5-6,9,17-18H,4,7-8,14H2,1-3H3,(H,15,16)
InChIKeyHALDBJMFAXRGCC-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.00
Rot. Bonds7

About 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol

2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107864556) has the molecular formula C13H23N3O3 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
PubChem CID107864556
Molecular FormulaC13H23N3O3
Molecular Weight269.35 g/mol
Exact Mass269.17
IUPAC Name2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C13H23N3O3/c1-4-13(7-17,8-18)16-11-6-5-10(14)12(15-11)19-9(2)3/h5-6,9,17-18H,4,7-8,14H2,1-3H3,(H,15,16)
InChIKeyHALDBJMFAXRGCC-UHFFFAOYSA-N
XLogP1.00
TPSA100.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-2-ethylbutan-1-ol
CID 62524145
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184001
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]acetic acid
CID 62253683
2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113449896
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-phenylethanol
CID 63182610
3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113705
2-[(5,6-diamino-2-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845614
2-N-[(1-methylcyclobutyl)methyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 114107323
2-N-(1-methylsulfonylpropan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 64630804
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (CID 107864556) is 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is HALDBJMFAXRGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-13(7-17,8-18)16-11-6-5-10(14)12(15-11)19-9(2)3/h5-6,9,17-18H,4,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 269.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).