2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol

C16H23N7O — CID 56760076

IUPAC2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol
SMILESCC(C)(C)c1ncc2c(n1)CN(c1cc(NCCO)nc(N)n1)C2
InChIInChI=1S/C16H23N7O/c1-16(2,3)14-19-7-10-8-23(9-11(10)20-14)13-6-12(18-4-5-24)21-15(17)22-13/h6-7,24H,4-5,8-9H2,1-3H3,(H3,17,18,21,22)
InChIKeyJNYOHNUJUHZJSZ-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.07
Rot. Bonds4

About 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 56760076) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID56760076
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol
SMILESCC(C)(C)c1ncc2c(n1)CN(c1cc(NCCO)nc(N)n1)C2
InChIInChI=1S/C16H23N7O/c1-16(2,3)14-19-7-10-8-23(9-11(10)20-14)13-6-12(18-4-5-24)21-15(17)22-13/h6-7,24H,4-5,8-9H2,1-3H3,(H3,17,18,21,22)
InChIKeyJNYOHNUJUHZJSZ-UHFFFAOYSA-N
XLogP1.07
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol (CID 56760076) is 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol is CC(C)(C)c1ncc2c(n1)CN(c1cc(NCCO)nc(N)n1)C2.
What is the InChIKey of 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is JNYOHNUJUHZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-16(2,3)14-19-7-10-8-23(9-11(10)20-14)13-6-12(18-4-5-24)21-15(17)22-13/h6-7,24H,4-5,8-9H2,1-3H3,(H3,17,18,21,22).
What are the key properties of 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 329.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 56760076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).