5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C13H20N4 — CID 59021381

IUPAC5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(C(C)(C)C)c2c(N)ncnc21
InChIInChI=1S/C13H20N4/c1-8(2)17-6-9(13(3,4)5)10-11(14)15-7-16-12(10)17/h6-8H,1-5H3,(H2,14,15,16)
InChIKeyPCXHVJDHYZIHJC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.89
Rot. Bonds1

About 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 59021381) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID59021381
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(C(C)(C)C)c2c(N)ncnc21
InChIInChI=1S/C13H20N4/c1-8(2)17-6-9(13(3,4)5)10-11(14)15-7-16-12(10)17/h6-8H,1-5H3,(H2,14,15,16)
InChIKeyPCXHVJDHYZIHJC-UHFFFAOYSA-N
XLogP2.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 59021381) is 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1cc(C(C)(C)C)c2c(N)ncnc21.
What is the InChIKey of 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PCXHVJDHYZIHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8(2)17-6-9(13(3,4)5)10-11(14)15-7-16-12(10)17/h6-8H,1-5H3,(H2,14,15,16).
What are the key properties of 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 232.33 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59021381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).