1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one

C14H20N6O — CID 63221053

IUPAC1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one
SMILESCCNc1nc(CN2CC(C)CC2=O)nc2c1cnn2C
InChIInChI=1S/C14H20N6O/c1-4-15-13-10-6-16-19(3)14(10)18-11(17-13)8-20-7-9(2)5-12(20)21/h6,9H,4-5,7-8H2,1-3H3,(H,15,17,18)
InChIKeyFDXKPGIOKRLFBE-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.16
Rot. Bonds4

About 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one

1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one (PubChem CID 63221053) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one
PubChem CID63221053
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one
SMILESCCNc1nc(CN2CC(C)CC2=O)nc2c1cnn2C
InChIInChI=1S/C14H20N6O/c1-4-15-13-10-6-16-19(3)14(10)18-11(17-13)8-20-7-9(2)5-12(20)21/h6,9H,4-5,7-8H2,1-3H3,(H,15,17,18)
InChIKeyFDXKPGIOKRLFBE-UHFFFAOYSA-N
XLogP1.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one (CID 63221053) is 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one is CCNc1nc(CN2CC(C)CC2=O)nc2c1cnn2C.
What is the InChIKey of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one?
The InChIKey is FDXKPGIOKRLFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-15-13-10-6-16-19(3)14(10)18-11(17-13)8-20-7-9(2)5-12(20)21/h6,9H,4-5,7-8H2,1-3H3,(H,15,17,18).
What are the key properties of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one?
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one has a molecular weight of 288.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63221053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).