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

C14H22N4 — CID 43159174

IUPAC2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(C)(C)n1c(C)c(C)c2c(N)nc(C)nc21
InChIInChI=1S/C14H22N4/c1-7-14(5,6)18-9(3)8(2)11-12(15)16-10(4)17-13(11)18/h7H2,1-6H3,(H2,15,16,17)
InChIKeyOZKKNMOVGSTRQP-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.08
Rot. Bonds2

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

2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43159174) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43159174
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCC(C)(C)n1c(C)c(C)c2c(N)nc(C)nc21
InChIInChI=1S/C14H22N4/c1-7-14(5,6)18-9(3)8(2)11-12(15)16-10(4)17-13(11)18/h7H2,1-6H3,(H2,15,16,17)
InChIKeyOZKKNMOVGSTRQP-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 43159174) is 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CCC(C)(C)n1c(C)c(C)c2c(N)nc(C)nc21.
What is the InChIKey of 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OZKKNMOVGSTRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-7-14(5,6)18-9(3)8(2)11-12(15)16-10(4)17-13(11)18/h7H2,1-6H3,(H2,15,16,17).
What are the key properties of 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-7-(2-methylbutan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43159174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).