1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one

C13H19N7O2 — CID 56888750

IUPAC1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
SMILESCOCc1nc(NCCN2CCNC2=O)c2cnn(C)c2n1
InChIInChI=1S/C13H19N7O2/c1-19-12-9(7-16-19)11(17-10(18-12)8-22-2)14-3-5-20-6-4-15-13(20)21/h7H,3-6,8H2,1-2H3,(H,15,21)(H,14,17,18)
InChIKeyOLNDPDYKSFABQV-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.05
Rot. Bonds6

About 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 56888750) has the molecular formula C13H19N7O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
PubChem CID56888750
Molecular FormulaC13H19N7O2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
SMILESCOCc1nc(NCCN2CCNC2=O)c2cnn(C)c2n1
InChIInChI=1S/C13H19N7O2/c1-19-12-9(7-16-19)11(17-10(18-12)8-22-2)14-3-5-20-6-4-15-13(20)21/h7H,3-6,8H2,1-2H3,(H,15,21)(H,14,17,18)
InChIKeyOLNDPDYKSFABQV-UHFFFAOYSA-N
XLogP-0.05
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one (CID 56888750) is 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one is COCc1nc(NCCN2CCNC2=O)c2cnn(C)c2n1.
What is the InChIKey of 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is OLNDPDYKSFABQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2/c1-19-12-9(7-16-19)11(17-10(18-12)8-22-2)14-3-5-20-6-4-15-13(20)21/h7H,3-6,8H2,1-2H3,(H,15,21)(H,14,17,18).
What are the key properties of 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 305.34 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(methoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 56888750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).