2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol

C20H27N5O2 — CID 45485032

IUPAC2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C20H27N5O2/c1-6-9-24(10-11-26)19-18-14(3)23-25(20(18)22-15(4)21-19)17-8-7-16(27-5)12-13(17)2/h7-8,12,26H,6,9-11H2,1-5H3
InChIKeyFWCKJOIOUMRSPM-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.96
Rot. Bonds7

About 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol

2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol (PubChem CID 45485032) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol
PubChem CID45485032
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCN(CCO)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C20H27N5O2/c1-6-9-24(10-11-26)19-18-14(3)23-25(20(18)22-15(4)21-19)17-8-7-16(27-5)12-13(17)2/h7-8,12,26H,6,9-11H2,1-5H3
InChIKeyFWCKJOIOUMRSPM-UHFFFAOYSA-N
XLogP2.96
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol?
The IUPAC name of 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol (CID 45485032) is 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol is CCCN(CCO)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C.
What is the InChIKey of 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol?
The InChIKey is FWCKJOIOUMRSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-6-9-24(10-11-26)19-18-14(3)23-25(20(18)22-15(4)21-19)17-8-7-16(27-5)12-13(17)2/h7-8,12,26H,6,9-11H2,1-5H3.
What are the key properties of 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol?
2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol has a molecular weight of 369.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-propylamino]ethanol is sourced from PubChem (CID 45485032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).