2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine

C14H16N6 — CID 72881735

IUPAC2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCc2cnn3cccnc23)n1
InChIInChI=1S/C14H16N6/c1-9-10(2)18-11(3)19-13(9)16-7-12-8-17-20-6-4-5-15-14(12)20/h4-6,8H,7H2,1-3H3,(H,16,18,19)
InChIKeyHLCLYOGSBJSXMH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.06
Rot. Bonds3

About 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine

2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 72881735) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID72881735
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCc2cnn3cccnc23)n1
InChIInChI=1S/C14H16N6/c1-9-10(2)18-11(3)19-13(9)16-7-12-8-17-20-6-4-5-15-14(12)20/h4-6,8H,7H2,1-3H3,(H,16,18,19)
InChIKeyHLCLYOGSBJSXMH-UHFFFAOYSA-N
XLogP2.06
TPSA68.00 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine (CID 72881735) is 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine is Cc1nc(C)c(C)c(NCc2cnn3cccnc23)n1.
What is the InChIKey of 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is HLCLYOGSBJSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-10(2)18-11(3)19-13(9)16-7-12-8-17-20-6-4-5-15-14(12)20/h4-6,8H,7H2,1-3H3,(H,16,18,19).
What are the key properties of 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine?
2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 72881735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).