4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C14H15N5O — CID 50948381

IUPAC4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOC(C)c1cccc(-c2nc(N)nc3[nH]ncc23)c1
InChIInChI=1S/C14H15N5O/c1-8(20-2)9-4-3-5-10(6-9)12-11-7-16-19-13(11)18-14(15)17-12/h3-8H,1-2H3,(H3,15,16,17,18,19)
InChIKeyKWPONZAHLNLEJD-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.31
Rot. Bonds3

About 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine

4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 50948381) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID50948381
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOC(C)c1cccc(-c2nc(N)nc3[nH]ncc23)c1
InChIInChI=1S/C14H15N5O/c1-8(20-2)9-4-3-5-10(6-9)12-11-7-16-19-13(11)18-14(15)17-12/h3-8H,1-2H3,(H3,15,16,17,18,19)
InChIKeyKWPONZAHLNLEJD-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

4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole
CID 126448059
3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole
CID 97434250
3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole
CID 121498247
4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 103434577
4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74235800
3-[3-(1-methoxyethyl)phenyl]-N,N-dimethylpyrazin-2-amine
CID 74250142
5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline
CID 90817428
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115
6-phenyl-1H-pyrazolo[5,4-b]pyridin-4-amine
CID 105463991
4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
CID 117293410
4-chloro-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 157231027
6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 126434033

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 50948381) is 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine is COC(C)c1cccc(-c2nc(N)nc3[nH]ncc23)c1.
What is the InChIKey of 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is KWPONZAHLNLEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(20-2)9-4-3-5-10(6-9)12-11-7-16-19-13(11)18-14(15)17-12/h3-8H,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-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 4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 50948381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).