2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol

C13H22N6O2 — CID 63220157

IUPAC2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESCCNc1nc(CN(CCO)CCO)nc2c1cnn2C
InChIInChI=1S/C13H22N6O2/c1-3-14-12-10-8-15-18(2)13(10)17-11(16-12)9-19(4-6-20)5-7-21/h8,20-21H,3-7,9H2,1-2H3,(H,14,16,17)
InChIKeyDWYBHOHXLDGOMK-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.42
Rot. Bonds8

About 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol

2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 63220157) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID63220157
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESCCNc1nc(CN(CCO)CCO)nc2c1cnn2C
InChIInChI=1S/C13H22N6O2/c1-3-14-12-10-8-15-18(2)13(10)17-11(16-12)9-19(4-6-20)5-7-21/h8,20-21H,3-7,9H2,1-2H3,(H,14,16,17)
InChIKeyDWYBHOHXLDGOMK-UHFFFAOYSA-N
XLogP-0.42
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol (CID 63220157) is 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol is CCNc1nc(CN(CCO)CCO)nc2c1cnn2C.
What is the InChIKey of 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is DWYBHOHXLDGOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-14-12-10-8-15-18(2)13(10)17-11(16-12)9-19(4-6-20)5-7-21/h8,20-21H,3-7,9H2,1-2H3,(H,14,16,17).
What are the key properties of 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 294.36 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 63220157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).