N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C14H20N6O — CID 70720768

IUPACN-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(C)nc3c2c(C)nn3C)C1
InChIInChI=1S/C14H20N6O/c1-8-12-13(19(4)18-8)15-9(2)16-14(12)20-6-5-11(7-20)17-10(3)21/h11H,5-7H2,1-4H3,(H,17,21)
InChIKeyRAPSMHQPMHWRMN-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.69
Rot. Bonds2

About N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70720768) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID70720768
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(C)nc3c2c(C)nn3C)C1
InChIInChI=1S/C14H20N6O/c1-8-12-13(19(4)18-8)15-9(2)16-14(12)20-6-5-11(7-20)17-10(3)21/h11H,5-7H2,1-4H3,(H,17,21)
InChIKeyRAPSMHQPMHWRMN-UHFFFAOYSA-N
XLogP0.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 70720768) is N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2nc(C)nc3c2c(C)nn3C)C1.
What is the InChIKey of N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is RAPSMHQPMHWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-8-12-13(19(4)18-8)15-9(2)16-14(12)20-6-5-11(7-20)17-10(3)21/h11H,5-7H2,1-4H3,(H,17,21).
What are the key properties of N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70720768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).