1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C16H13N5O — CID 22015550

IUPAC1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(Cc3ccccc3)c2n1
InChIInChI=1S/C16H13N5O/c17-16-19-14(13-7-4-8-22-13)12-9-18-21(15(12)20-16)10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,17,19,20)
InChIKeyRPXZQPYMRFTGOH-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.72
Rot. Bonds3

About 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine

1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015550) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015550
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccco2)c2cnn(Cc3ccccc3)c2n1
InChIInChI=1S/C16H13N5O/c17-16-19-14(13-7-4-8-22-13)12-9-18-21(15(12)20-16)10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,17,19,20)
InChIKeyRPXZQPYMRFTGOH-UHFFFAOYSA-N
XLogP2.72
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Preladenant
CID 10117987
Vipadenant
CID 21874557
2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(3-(4-methoxyphenyl)propyl)-
CID 10668061
CID 9912318
CID 9912318
Mre 3008-F20
CID 5310960
(11C)Sch 442416
CID 11794633
7-(Furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 6485369
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015550) is 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3)c2n1.
What is the InChIKey of 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is RPXZQPYMRFTGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-16-19-14(13-7-4-8-22-13)12-9-18-21(15(12)20-16)10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,17,19,20).
What are the key properties of 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 291.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).