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

C19H19N5O — CID 22015529

IUPAC4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCN(C)c1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
InChIInChI=1S/C19H19N5O/c1-23(2)19-21-17(16-9-6-12-25-16)15-13-20-24(18(15)22-19)11-10-14-7-4-3-5-8-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyLBMUNXQFWQLDNX-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.39
Rot. Bonds5

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

4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015529) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015529
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCN(C)c1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1
InChIInChI=1S/C19H19N5O/c1-23(2)19-21-17(16-9-6-12-25-16)15-13-20-24(18(15)22-19)11-10-14-7-4-3-5-8-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyLBMUNXQFWQLDNX-UHFFFAOYSA-N
XLogP3.39
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015529) is 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine is CN(C)c1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1.
What is the InChIKey of 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is LBMUNXQFWQLDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23(2)19-21-17(16-9-6-12-25-16)15-13-20-24(18(15)22-19)11-10-14-7-4-3-5-8-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine?
4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 333.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N,N-dimethyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).