(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

C15H22N6O — CID 95717074

IUPAC(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCCCc1nc(NC[C@@H]2CCC(=O)N2C)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-4-5-12-18-14(11-9-17-21(3)15(11)19-12)16-8-10-6-7-13(22)20(10)2/h9-10H,4-8H2,1-3H3,(H,16,18,19)/t10-/m0/s1
InChIKeyBKEDITQRSFSUAF-JTQLQIEISA-N
MW302.38 g/mol
LogP1.35
Rot. Bonds5

About (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 95717074) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID95717074
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESCCCc1nc(NC[C@@H]2CCC(=O)N2C)c2cnn(C)c2n1
InChIInChI=1S/C15H22N6O/c1-4-5-12-18-14(11-9-17-21(3)15(11)19-12)16-8-10-6-7-13(22)20(10)2/h9-10H,4-8H2,1-3H3,(H,16,18,19)/t10-/m0/s1
InChIKeyBKEDITQRSFSUAF-JTQLQIEISA-N
XLogP1.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (CID 95717074) is (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is CCCc1nc(NC[C@@H]2CCC(=O)N2C)c2cnn(C)c2n1.
What is the InChIKey of (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is BKEDITQRSFSUAF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N6O/c1-4-5-12-18-14(11-9-17-21(3)15(11)19-12)16-8-10-6-7-13(22)20(10)2/h9-10H,4-8H2,1-3H3,(H,16,18,19)/t10-/m0/s1.
What are the key properties of (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95717074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).