N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H15N5O2 — CID 661026

IUPACN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1
InChIInChI=1S/C17H15N5O2/c1-23-13-6-4-12(5-7-13)22-17-15(10-21-22)16(19-11-20-17)18-9-14-3-2-8-24-14/h2-8,10-11H,9H2,1H3,(H,18,19,20)
InChIKeyDKXVBJMMWUXFQZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.03
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661026) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661026
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1
InChIInChI=1S/C17H15N5O2/c1-23-13-6-4-12(5-7-13)22-17-15(10-21-22)16(19-11-20-17)18-9-14-3-2-8-24-14/h2-8,10-11H,9H2,1H3,(H,18,19,20)
InChIKeyDKXVBJMMWUXFQZ-UHFFFAOYSA-N
XLogP3.03
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 3569216
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951
N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069938
1-(4-methoxyphenyl)-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661214
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23494617
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86809015
N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 82191539
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 17401866

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661026) is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DKXVBJMMWUXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-23-13-6-4-12(5-7-13)22-17-15(10-21-22)16(19-11-20-17)18-9-14-3-2-8-24-14/h2-8,10-11H,9H2,1H3,(H,18,19,20).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 321.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).