4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine

C12H14N4 — CID 167791688

IUPAC4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(N3CC=CC3)c12
InChIInChI=1S/C12H14N4/c1-2-9-7-13-11-10(9)12(15-8-14-11)16-5-3-4-6-16/h3-4,7-8H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyDGOIAHNKRXBOJE-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.90
Rot. Bonds2

About 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine

4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 167791688) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID167791688
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(N3CC=CC3)c12
InChIInChI=1S/C12H14N4/c1-2-9-7-13-11-10(9)12(15-8-14-11)16-5-3-4-6-16/h3-4,7-8H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyDGOIAHNKRXBOJE-UHFFFAOYSA-N
XLogP1.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine (CID 167791688) is 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine is CCc1c[nH]c2ncnc(N3CC=CC3)c12.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DGOIAHNKRXBOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-9-7-13-11-10(9)12(15-8-14-11)16-5-3-4-6-16/h3-4,7-8H,2,5-6H2,1H3,(H,13,14,15).
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine?
4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 214.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 167791688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).