2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine

C20H26N8 — CID 166973993

IUPAC2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)n1ccc2c(N)nc(CC(C)(C)n3ccc4cnc(N)nc43)nc21
InChIInChI=1S/C20H26N8/c1-19(2,3)27-9-7-13-15(21)24-14(25-17(13)27)10-20(4,5)28-8-6-12-11-23-18(22)26-16(12)28/h6-9,11H,10H2,1-5H3,(H2,21,24,25)(H2,22,23,26)
InChIKeyCXLNQSWQMZCPIB-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.07
Rot. Bonds3

About 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine

2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166973993) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166973993
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)n1ccc2c(N)nc(CC(C)(C)n3ccc4cnc(N)nc43)nc21
InChIInChI=1S/C20H26N8/c1-19(2,3)27-9-7-13-15(21)24-14(25-17(13)27)10-20(4,5)28-8-6-12-11-23-18(22)26-16(12)28/h6-9,11H,10H2,1-5H3,(H2,21,24,25)(H2,22,23,26)
InChIKeyCXLNQSWQMZCPIB-UHFFFAOYSA-N
XLogP3.07
TPSA113.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine (CID 166973993) is 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)(C)n1ccc2c(N)nc(CC(C)(C)n3ccc4cnc(N)nc43)nc21.
What is the InChIKey of 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CXLNQSWQMZCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-19(2,3)27-9-7-13-15(21)24-14(25-17(13)27)10-20(4,5)28-8-6-12-11-23-18(22)26-16(12)28/h6-9,11H,10H2,1-5H3,(H2,21,24,25)(H2,22,23,26).
What are the key properties of 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine?
2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166973993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).