N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C19H20N6O — CID 56892918

IUPACN,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccno1)c1nc(CCc2ccccc2)nc2c1cnn2C
InChIInChI=1S/C19H20N6O/c1-24(13-15-10-11-21-26-15)18-16-12-20-25(2)19(16)23-17(22-18)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyYRRDLJNVYDEIFV-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.77
Rot. Bonds6

About N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56892918) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56892918
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccno1)c1nc(CCc2ccccc2)nc2c1cnn2C
InChIInChI=1S/C19H20N6O/c1-24(13-15-10-11-21-26-15)18-16-12-20-25(2)19(16)23-17(22-18)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyYRRDLJNVYDEIFV-UHFFFAOYSA-N
XLogP2.77
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 56892918) is N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine is CN(Cc1ccno1)c1nc(CCc2ccccc2)nc2c1cnn2C.
What is the InChIKey of N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YRRDLJNVYDEIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24(13-15-10-11-21-26-15)18-16-12-20-25(2)19(16)23-17(22-18)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1,2-oxazol-5-ylmethyl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56892918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).