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

C16H18N6 — CID 71687738

IUPAC5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCc3ccncc3)nc(C3CC3)nc12
InChIInChI=1S/C16H18N6/c1-10-13-14(22(2)21-10)16(20-15(19-13)12-3-4-12)18-9-11-5-7-17-8-6-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyHARSJHKLULLBJC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.56
Rot. Bonds4

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

5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 71687738) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID71687738
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCc3ccncc3)nc(C3CC3)nc12
InChIInChI=1S/C16H18N6/c1-10-13-14(22(2)21-10)16(20-15(19-13)12-3-4-12)18-9-11-5-7-17-8-6-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,19,20)
InChIKeyHARSJHKLULLBJC-UHFFFAOYSA-N
XLogP2.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 71687738) is 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C)c2c(NCc3ccncc3)nc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HARSJHKLULLBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-10-13-14(22(2)21-10)16(20-15(19-13)12-3-4-12)18-9-11-5-7-17-8-6-11/h5-8,12H,3-4,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 294.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 71687738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).