N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

C20H27N5O2 — CID 45485022

IUPACN-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C20H27N5O2/c1-7-24(10-11-26-5)19-18-14(3)23-25(20(18)22-15(4)21-19)17-9-8-16(27-6)12-13(17)2/h8-9,12H,7,10-11H2,1-6H3
InChIKeyYEQMKIXYEYPAAX-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.22
Rot. Bonds7

About N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 45485022) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID45485022
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C20H27N5O2/c1-7-24(10-11-26-5)19-18-14(3)23-25(20(18)22-15(4)21-19)17-9-8-16(27-6)12-13(17)2/h8-9,12H,7,10-11H2,1-6H3
InChIKeyYEQMKIXYEYPAAX-UHFFFAOYSA-N
XLogP3.22
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 45485022) is N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is CCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YEQMKIXYEYPAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-7-24(10-11-26-5)19-18-14(3)23-25(20(18)22-15(4)21-19)17-9-8-16(27-6)12-13(17)2/h8-9,12H,7,10-11H2,1-6H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 45485022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).