4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine

C16H20N8O — CID 171998183

IUPAC4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)C2CCCN(c3ncnc4[nH]ncc34)C2)n1
InChIInChI=1S/C16H20N8O/c1-23(16-17-6-5-13(21-16)25-2)11-4-3-7-24(9-11)15-12-8-20-22-14(12)18-10-19-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,19,20,22)
InChIKeyDAGYDGUPVQMIAK-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.26
Rot. Bonds4

About 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine

4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 171998183) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID171998183
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N(C)C2CCCN(c3ncnc4[nH]ncc34)C2)n1
InChIInChI=1S/C16H20N8O/c1-23(16-17-6-5-13(21-16)25-2)11-4-3-7-24(9-11)15-12-8-20-22-14(12)18-10-19-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,19,20,22)
InChIKeyDAGYDGUPVQMIAK-UHFFFAOYSA-N
XLogP1.26
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine (CID 171998183) is 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine is COc1ccnc(N(C)C2CCCN(c3ncnc4[nH]ncc34)C2)n1.
What is the InChIKey of 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is DAGYDGUPVQMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-23(16-17-6-5-13(21-16)25-2)11-4-3-7-24(9-11)15-12-8-20-22-14(12)18-10-19-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,18,19,20,22).
What are the key properties of 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine?
4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 340.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171998183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).