5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C8H11N5 — CID 10487531

IUPAC5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1c[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C8H11N5/c1-2-4-3-11-7-5(4)6(9)12-8(10)13-7/h3H,2H2,1H3,(H5,9,10,11,12,13)
InChIKeyJRNBKJIRZOVGBO-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.68
Rot. Bonds1

About 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 10487531) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID10487531
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1c[nH]c2nc(N)nc(N)c12
InChIInChI=1S/C8H11N5/c1-2-4-3-11-7-5(4)6(9)12-8(10)13-7/h3H,2H2,1H3,(H5,9,10,11,12,13)
InChIKeyJRNBKJIRZOVGBO-UHFFFAOYSA-N
XLogP0.68
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 10487531) is 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CCc1c[nH]c2nc(N)nc(N)c12.
What is the InChIKey of 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JRNBKJIRZOVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-2-4-3-11-7-5(4)6(9)12-8(10)13-7/h3H,2H2,1H3,(H5,9,10,11,12,13).
What are the key properties of 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 177.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10487531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).