2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol

C10H17N3O2 — CID 107864663

IUPAC2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1cc(N)ccn1
InChIInChI=1S/C10H17N3O2/c1-2-10(6-14,7-15)13-9-5-8(11)3-4-12-9/h3-5,14-15H,2,6-7H2,1H3,(H3,11,12,13)
InChIKeyKNJYKSBZHMXKET-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.21
Rot. Bonds5

About 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol

2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107864663) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
PubChem CID107864663
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1cc(N)ccn1
InChIInChI=1S/C10H17N3O2/c1-2-10(6-14,7-15)13-9-5-8(11)3-4-12-9/h3-5,14-15H,2,6-7H2,1H3,(H3,11,12,13)
InChIKeyKNJYKSBZHMXKET-UHFFFAOYSA-N
XLogP0.21
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
CID 107865845
2-ethyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107868726
2-ethyl-2-[(4-nitro-2-pyridinyl)amino]propane-1,3-diol
CID 107866257
methyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carboxylate
CID 114075125
2-[[5-(aminomethyl)-2-pyridinyl]amino]-2-ethylpropane-1,3-diol
CID 107864682
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
CID 107866127
2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866444
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
CID 106095700
2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864539
2-ethyl-2-[(2-fluoro-4-pyridinyl)amino]propane-1,3-diol
CID 107866452
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853535
2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866139

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol (CID 107864663) is 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1cc(N)ccn1.
What is the InChIKey of 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is KNJYKSBZHMXKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-10(6-14,7-15)13-9-5-8(11)3-4-12-9/h3-5,14-15H,2,6-7H2,1H3,(H3,11,12,13).
What are the key properties of 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol?
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 211.27 g/mol, XLogP of 0.21, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).