7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C14H22N4 — CID 64597836

IUPAC7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CC(C)C(C)C)c2ncnc(N)c12
InChIInChI=1S/C14H22N4/c1-8(2)9(3)6-18-11(5)10(4)12-13(15)16-7-17-14(12)18/h7-9H,6H2,1-5H3,(H2,15,16,17)
InChIKeyOOSULZTXQDADML-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.92
Rot. Bonds3

About 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 64597836) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID64597836
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CC(C)C(C)C)c2ncnc(N)c12
InChIInChI=1S/C14H22N4/c1-8(2)9(3)6-18-11(5)10(4)12-13(15)16-7-17-14(12)18/h7-9H,6H2,1-5H3,(H2,15,16,17)
InChIKeyOOSULZTXQDADML-UHFFFAOYSA-N
XLogP2.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 64597836) is 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CC(C)C(C)C)c2ncnc(N)c12.
What is the InChIKey of 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OOSULZTXQDADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-8(2)9(3)6-18-11(5)10(4)12-13(15)16-7-17-14(12)18/h7-9H,6H2,1-5H3,(H2,15,16,17).
What are the key properties of 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 64597836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).