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

C16H20N6 — CID 39742369

IUPAC1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCc3cccnc3)nc(C(C)C)nc12
InChIInChI=1S/C16H20N6/c1-10(2)15-19-13-11(3)21-22(4)14(13)16(20-15)18-9-12-6-5-7-17-8-12/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyFFXZMCJJBOHTJT-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.80
Rot. Bonds4

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

1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39742369) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39742369
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nn(C)c2c(NCc3cccnc3)nc(C(C)C)nc12
InChIInChI=1S/C16H20N6/c1-10(2)15-19-13-11(3)21-22(4)14(13)16(20-15)18-9-12-6-5-7-17-8-12/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyFFXZMCJJBOHTJT-UHFFFAOYSA-N
XLogP2.80
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39742369) is 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nn(C)c2c(NCc3cccnc3)nc(C(C)C)nc12.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is FFXZMCJJBOHTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-10(2)15-19-13-11(3)21-22(4)14(13)16(20-15)18-9-12-6-5-7-17-8-12/h5-8,10H,9H2,1-4H3,(H,18,19,20).
What are the key properties of 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 296.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39742369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).