N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

C18H23N5O2 — CID 70771413

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCOc1cc(CN(C)c2ncnc3c2c(C)nn3C)ccc1OC
InChIInChI=1S/C18H23N5O2/c1-6-25-15-9-13(7-8-14(15)24-5)10-22(3)17-16-12(2)21-23(4)18(16)20-11-19-17/h7-9,11H,6,10H2,1-5H3
InChIKeyJUJUTPNNHYVZKD-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.72
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70771413) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70771413
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCOc1cc(CN(C)c2ncnc3c2c(C)nn3C)ccc1OC
InChIInChI=1S/C18H23N5O2/c1-6-25-15-9-13(7-8-14(15)24-5)10-22(3)17-16-12(2)21-23(4)18(16)20-11-19-17/h7-9,11H,6,10H2,1-5H3
InChIKeyJUJUTPNNHYVZKD-UHFFFAOYSA-N
XLogP2.72
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166787512
4-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol
CID 133497383
1-(3-ethoxy-4-methoxyphenyl)-N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine
CID 42481113
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
CID 53443506
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74238255
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 77088347
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 133409132
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31757976
4-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 17409552
ethyl 4-[(3-methoxy-4-methylphenyl)methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133456709

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 70771413) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is CCOc1cc(CN(C)c2ncnc3c2c(C)nn3C)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JUJUTPNNHYVZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-6-25-15-9-13(7-8-14(15)24-5)10-22(3)17-16-12(2)21-23(4)18(16)20-11-19-17/h7-9,11H,6,10H2,1-5H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70771413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).