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

C14H19N7O — CID 56752434

IUPAC2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol
SMILESCCc1ncc2c(n1)CN(c1cc(NCCO)nc(N)n1)C2
InChIInChI=1S/C14H19N7O/c1-2-11-17-6-9-7-21(8-10(9)18-11)13-5-12(16-3-4-22)19-14(15)20-13/h5-6,22H,2-4,7-8H2,1H3,(H3,15,16,19,20)
InChIKeySDAGVPGSXKJNBQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.34
Rot. Bonds5

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

2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 56752434) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID56752434
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol
SMILESCCc1ncc2c(n1)CN(c1cc(NCCO)nc(N)n1)C2
InChIInChI=1S/C14H19N7O/c1-2-11-17-6-9-7-21(8-10(9)18-11)13-5-12(16-3-4-22)19-14(15)20-13/h5-6,22H,2-4,7-8H2,1H3,(H3,15,16,19,20)
InChIKeySDAGVPGSXKJNBQ-UHFFFAOYSA-N
XLogP0.34
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol (CID 56752434) is 2-[[2-amino-6-(2-ethyl-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-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol is CCc1ncc2c(n1)CN(c1cc(NCCO)nc(N)n1)C2.
What is the InChIKey of 2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is SDAGVPGSXKJNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-2-11-17-6-9-7-21(8-10(9)18-11)13-5-12(16-3-4-22)19-14(15)20-13/h5-6,22H,2-4,7-8H2,1H3,(H3,15,16,19,20).
What are the key properties of 2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 301.35 g/mol, XLogP of 0.34, 5 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-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 56752434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).