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

C17H15N5O — CID 661241

IUPACN-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(NCc4ccco4)ncnc32)c1
InChIInChI=1S/C17H15N5O/c1-12-4-2-5-13(8-12)22-17-15(10-21-22)16(19-11-20-17)18-9-14-6-3-7-23-14/h2-8,10-11H,9H2,1H3,(H,18,19,20)
InChIKeyMSCRCGPMXVKEBL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.33
Rot. Bonds4

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

N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661241) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661241
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(NCc4ccco4)ncnc32)c1
InChIInChI=1S/C17H15N5O/c1-12-4-2-5-13(8-12)22-17-15(10-21-22)16(19-11-20-17)18-9-14-6-3-7-23-14/h2-8,10-11H,9H2,1H3,(H,18,19,20)
InChIKeyMSCRCGPMXVKEBL-UHFFFAOYSA-N
XLogP3.33
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661241) is N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(-n2ncc3c(NCc4ccco4)ncnc32)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MSCRCGPMXVKEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12-4-2-5-13(8-12)22-17-15(10-21-22)16(19-11-20-17)18-9-14-6-3-7-23-14/h2-8,10-11H,9H2,1H3,(H,18,19,20).
What are the key properties of N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).