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

C14H16N6 — CID 39742361

IUPAC1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NCc2cccnc2)c2c(n1)c(C)nn2C
InChIInChI=1S/C14H16N6/c1-9-12-13(20(3)19-9)14(18-10(2)17-12)16-8-11-5-4-6-15-7-11/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyZAJCRVXODSZIHZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.99
Rot. Bonds3

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

1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 39742361) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID39742361
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCc1nc(NCc2cccnc2)c2c(n1)c(C)nn2C
InChIInChI=1S/C14H16N6/c1-9-12-13(20(3)19-9)14(18-10(2)17-12)16-8-11-5-4-6-15-7-11/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyZAJCRVXODSZIHZ-UHFFFAOYSA-N
XLogP1.99
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 39742361) is 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is Cc1nc(NCc2cccnc2)c2c(n1)c(C)nn2C.
What is the InChIKey of 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZAJCRVXODSZIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-12-13(20(3)19-9)14(18-10(2)17-12)16-8-11-5-4-6-15-7-11/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine?
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 268.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 39742361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).