4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C18H23N7O — CID 155798985

IUPAC4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(C)c(C)c(OCC2CCN(c3ncnc4[nH]ncc34)CC2)n1
InChIInChI=1S/C18H23N7O/c1-11-12(2)22-13(3)23-18(11)26-9-14-4-6-25(7-5-14)17-15-8-21-24-16(15)19-10-20-17/h8,10,14H,4-7,9H2,1-3H3,(H,19,20,21,24)
InChIKeyOPHHJEYSUGGNKY-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.36
Rot. Bonds4

About 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 155798985) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID155798985
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(C)c(C)c(OCC2CCN(c3ncnc4[nH]ncc34)CC2)n1
InChIInChI=1S/C18H23N7O/c1-11-12(2)22-13(3)23-18(11)26-9-14-4-6-25(7-5-14)17-15-8-21-24-16(15)19-10-20-17/h8,10,14H,4-7,9H2,1-3H3,(H,19,20,21,24)
InChIKeyOPHHJEYSUGGNKY-UHFFFAOYSA-N
XLogP2.36
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 155798985) is 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is Cc1nc(C)c(C)c(OCC2CCN(c3ncnc4[nH]ncc34)CC2)n1.
What is the InChIKey of 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is OPHHJEYSUGGNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-11-12(2)22-13(3)23-18(11)26-9-14-4-6-25(7-5-14)17-15-8-21-24-16(15)19-10-20-17/h8,10,14H,4-7,9H2,1-3H3,(H,19,20,21,24).
What are the key properties of 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 353.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 155798985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).