N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

C16H26N6O — CID 56912322

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCN1CCC(CN(C)c2ncnc3c2c(C)nn3C)C1
InChIInChI=1S/C16H26N6O/c1-12-14-15(17-11-18-16(14)21(3)19-12)20(2)9-13-5-6-22(10-13)7-8-23-4/h11,13H,5-10H2,1-4H3
InChIKeyXBACQNHCLXFPIU-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.08
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56912322) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56912322
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCN1CCC(CN(C)c2ncnc3c2c(C)nn3C)C1
InChIInChI=1S/C16H26N6O/c1-12-14-15(17-11-18-16(14)21(3)19-12)20(2)9-13-5-6-22(10-13)7-8-23-4/h11,13H,5-10H2,1-4H3
InChIKeyXBACQNHCLXFPIU-UHFFFAOYSA-N
XLogP1.08
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56912322) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is COCCN1CCC(CN(C)c2ncnc3c2c(C)nn3C)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is XBACQNHCLXFPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-12-14-15(17-11-18-16(14)21(3)19-12)20(2)9-13-5-6-22(10-13)7-8-23-4/h11,13H,5-10H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 318.43 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56912322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).