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

C17H21N5O2 — CID 42671411

IUPACN-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(C)c1nc(COC)nc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C17H21N5O2/c1-5-21(2)16-14-10-18-22(12-6-8-13(24-4)9-7-12)17(14)20-15(19-16)11-23-3/h6-10H,5,11H2,1-4H3
InChIKeyZWKYKHRMGWIWSK-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.43
Rot. Bonds6

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

N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 42671411) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID42671411
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(C)c1nc(COC)nc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C17H21N5O2/c1-5-21(2)16-14-10-18-22(12-6-8-13(24-4)9-7-12)17(14)20-15(19-16)11-23-3/h6-10H,5,11H2,1-4H3
InChIKeyZWKYKHRMGWIWSK-UHFFFAOYSA-N
XLogP2.43
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 42671407
[4-[6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 42671569
N-[(4-methoxyphenyl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 165433761
5-ethyl-1-(4-methoxyphenyl)pyrazol-4-amine
CID 66441037
1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 131909014
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
4-[(3-methoxyphenoxy)methyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 663418
N,N-diethyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 7205366
4-(bromomethyl)-5-ethyl-1-(4-methoxyphenyl)pyrazole
CID 66439466
1-(4-methoxyphenyl)-5-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 155976989
5-butyl-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2038166
5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine (CID 42671411) is N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine is CCN(C)c1nc(COC)nc2c1cnn2-c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZWKYKHRMGWIWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-5-21(2)16-14-10-18-22(12-6-8-13(24-4)9-7-12)17(14)20-15(19-16)11-23-3/h6-10H,5,11H2,1-4H3.
What are the key properties of N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine?
N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 42671411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).