5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C19H23N5O — CID 164621890

IUPAC5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(C3CCOCC3)cnn2c(NCc2ccccn2)c1C
InChIInChI=1S/C19H23N5O/c1-13-14(2)23-19-17(15-6-9-25-10-7-15)12-22-24(19)18(13)21-11-16-5-3-4-8-20-16/h3-5,8,12,15,21H,6-7,9-11H2,1-2H3
InChIKeyYQZLLARPESZTSX-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.25
Rot. Bonds4

About 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 164621890) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID164621890
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(C3CCOCC3)cnn2c(NCc2ccccn2)c1C
InChIInChI=1S/C19H23N5O/c1-13-14(2)23-19-17(15-6-9-25-10-7-15)12-22-24(19)18(13)21-11-16-5-3-4-8-20-16/h3-5,8,12,15,21H,6-7,9-11H2,1-2H3
InChIKeyYQZLLARPESZTSX-UHFFFAOYSA-N
XLogP3.25
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 164621890) is 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(C3CCOCC3)cnn2c(NCc2ccccn2)c1C.
What is the InChIKey of 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YQZLLARPESZTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-14(2)23-19-17(15-6-9-25-10-7-15)12-22-24(19)18(13)21-11-16-5-3-4-8-20-16/h3-5,8,12,15,21H,6-7,9-11H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 337.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(oxan-4-yl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 164621890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).