2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol

C13H22N6O — CID 104554373

IUPAC2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
SMILESCCNc1nc(CN(C)C(C)CO)nc2c1cnn2C
InChIInChI=1S/C13H22N6O/c1-5-14-12-10-6-15-19(4)13(10)17-11(16-12)7-18(3)9(2)8-20/h6,9,20H,5,7-8H2,1-4H3,(H,14,16,17)
InChIKeyGUXGHFHRUQIGBA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.61
Rot. Bonds6

About 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol

2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol (PubChem CID 104554373) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
PubChem CID104554373
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
SMILESCCNc1nc(CN(C)C(C)CO)nc2c1cnn2C
InChIInChI=1S/C13H22N6O/c1-5-14-12-10-6-15-19(4)13(10)17-11(16-12)7-18(3)9(2)8-20/h6,9,20H,5,7-8H2,1-4H3,(H,14,16,17)
InChIKeyGUXGHFHRUQIGBA-UHFFFAOYSA-N
XLogP0.61
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-methylamino]propan-1-ol?
The IUPAC name of 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol (CID 104554373) is 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol is CCNc1nc(CN(C)C(C)CO)nc2c1cnn2C.
What is the InChIKey of 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol?
The InChIKey is GUXGHFHRUQIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-5-14-12-10-6-15-19(4)13(10)17-11(16-12)7-18(3)9(2)8-20/h6,9,20H,5,7-8H2,1-4H3,(H,14,16,17).
What are the key properties of 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol?
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 104554373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).