N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine

C18H23N5O2 — CID 42671407

IUPACN,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(COC)nc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C18H23N5O2/c1-5-22(6-2)17-15-11-19-23(13-7-9-14(25-4)10-8-13)18(15)21-16(20-17)12-24-3/h7-11H,5-6,12H2,1-4H3
InChIKeyKHYLMPCSRDDZJQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.82
Rot. Bonds7

About N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine

N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 42671407) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID42671407
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(COC)nc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C18H23N5O2/c1-5-22(6-2)17-15-11-19-23(13-7-9-14(25-4)10-8-13)18(15)21-16(20-17)12-24-3/h7-11H,5-6,12H2,1-4H3
InChIKeyKHYLMPCSRDDZJQ-UHFFFAOYSA-N
XLogP2.82
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 42671407) is N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine is CCN(CC)c1nc(COC)nc2c1cnn2-c1ccc(OC)cc1.
What is the InChIKey of N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KHYLMPCSRDDZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-5-22(6-2)17-15-11-19-23(13-7-9-14(25-4)10-8-13)18(15)21-16(20-17)12-24-3/h7-11H,5-6,12H2,1-4H3.
What are the key properties of N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 42671407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).