5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine

C15H18N6 — CID 39742364

IUPAC5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCc2ccccn2)c2c(n1)c(C)nn2C
InChIInChI=1S/C15H18N6/c1-4-12-18-13-10(2)20-21(3)14(13)15(19-12)17-9-11-7-5-6-8-16-11/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyZKTNUJOJPJOTQW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.24
Rot. Bonds4

About 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine

5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39742364) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39742364
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCc2ccccn2)c2c(n1)c(C)nn2C
InChIInChI=1S/C15H18N6/c1-4-12-18-13-10(2)20-21(3)14(13)15(19-12)17-9-11-7-5-6-8-16-11/h5-8H,4,9H2,1-3H3,(H,17,18,19)
InChIKeyZKTNUJOJPJOTQW-UHFFFAOYSA-N
XLogP2.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39742364) is 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCc1nc(NCc2ccccn2)c2c(n1)c(C)nn2C.
What is the InChIKey of 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZKTNUJOJPJOTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-4-12-18-13-10(2)20-21(3)14(13)15(19-12)17-9-11-7-5-6-8-16-11/h5-8H,4,9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 282.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39742364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).