3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C14H15N5O — CID 119069322

IUPAC3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC(C)c1ccc(-c2[nH]nc3ncnc(N)c23)cc1
InChIInChI=1S/C14H15N5O/c1-8(20-2)9-3-5-10(6-4-9)12-11-13(15)16-7-17-14(11)19-18-12/h3-8H,1-2H3,(H3,15,16,17,18,19)
InChIKeyWMPKZQSSRYLTNC-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.31
Rot. Bonds3

About 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 119069322) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID119069322
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC(C)c1ccc(-c2[nH]nc3ncnc(N)c23)cc1
InChIInChI=1S/C14H15N5O/c1-8(20-2)9-3-5-10(6-4-9)12-11-13(15)16-7-17-14(11)19-18-12/h3-8H,1-2H3,(H3,15,16,17,18,19)
InChIKeyWMPKZQSSRYLTNC-UHFFFAOYSA-N
XLogP2.31
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(dimethylamino)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 123666078
[4-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methanol
CID 123607458
3-(3,5-difluoro-4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 66580326
6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine
CID 119066119
3-(1H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 141364781
3-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53234528
3-(2,3-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905255
3-(2H-triazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122381066
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 178016203
3-(3-chloro-4-morpholin-4-ylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70974901
3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122381068
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 55271281

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 119069322) is 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COC(C)c1ccc(-c2[nH]nc3ncnc(N)c23)cc1.
What is the InChIKey of 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WMPKZQSSRYLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(20-2)9-3-5-10(6-4-9)12-11-13(15)16-7-17-14(11)19-18-12/h3-8H,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 119069322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).