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

C21H29N5O3 — CID 45485023

IUPACN,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C21H29N5O3/c1-14-13-17(29-6)7-8-18(14)26-21-19(15(2)24-26)20(22-16(3)23-21)25(9-11-27-4)10-12-28-5/h7-8,13H,9-12H2,1-6H3
InChIKeyBFQDIJBCDAWTPG-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.85
Rot. Bonds9

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

N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 45485023) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID45485023
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C
InChIInChI=1S/C21H29N5O3/c1-14-13-17(29-6)7-8-18(14)26-21-19(15(2)24-26)20(22-16(3)23-21)25(9-11-27-4)10-12-28-5/h7-8,13H,9-12H2,1-6H3
InChIKeyBFQDIJBCDAWTPG-UHFFFAOYSA-N
XLogP2.85
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 45485023) is N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is COCCN(CCOC)c1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C.
What is the InChIKey of N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is BFQDIJBCDAWTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14-13-17(29-6)7-8-18(14)26-21-19(15(2)24-26)20(22-16(3)23-21)25(9-11-27-4)10-12-28-5/h7-8,13H,9-12H2,1-6H3.
What are the key properties of N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)-3,6-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 45485023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).