2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C14H16N6 — CID 106897412

IUPAC2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3cccnn3)c2n1
InChIInChI=1S/C14H16N6/c1-8-9(2)20(7-11-5-4-6-16-19-11)14-12(8)13(15)17-10(3)18-14/h4-6H,7H2,1-3H3,(H2,15,17,18)
InChIKeyAKXWHSURJBORFZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.78
Rot. Bonds2

About 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 106897412) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID106897412
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3cccnn3)c2n1
InChIInChI=1S/C14H16N6/c1-8-9(2)20(7-11-5-4-6-16-19-11)14-12(8)13(15)17-10(3)18-14/h4-6H,7H2,1-3H3,(H2,15,17,18)
InChIKeyAKXWHSURJBORFZ-UHFFFAOYSA-N
XLogP1.78
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5,6-trimethyl-7-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62991699
2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 106420804
2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114957254
7-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 106302479
2,5,6-trimethyl-7-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 106376159
7-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 115991438
2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 63823912
7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 106038847
7-[2-(5-chlorothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 106038841
7-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337019
2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 43337004
2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 43159174

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 106897412) is 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(Cc3cccnn3)c2n1.
What is the InChIKey of 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AKXWHSURJBORFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-8-9(2)20(7-11-5-4-6-16-19-11)14-12(8)13(15)17-10(3)18-14/h4-6H,7H2,1-3H3,(H2,15,17,18).
What are the key properties of 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106897412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).