4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine

C14H14N6 — CID 56711617

IUPAC4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C14H14N6/c1-2-12-16-5-9-6-20(7-11(9)19-12)14-10-3-4-15-13(10)17-8-18-14/h3-5,8H,2,6-7H2,1H3,(H,15,17,18)
InChIKeyMZQSHGYHKMYSJJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.83
Rot. Bonds2

About 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 56711617) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID56711617
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C14H14N6/c1-2-12-16-5-9-6-20(7-11(9)19-12)14-10-3-4-15-13(10)17-8-18-14/h3-5,8H,2,6-7H2,1H3,(H,15,17,18)
InChIKeyMZQSHGYHKMYSJJ-UHFFFAOYSA-N
XLogP1.83
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

PF-956980
CID 53344620
7-Deazaadenine
CID 5359620
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
6-Pyrrolidino-7-deazapurine
CID 4428602
4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18008465
2-N-((1S)-1-(5-Fluoropyrimidin-2-yl)ethyl)-4-N-(1-methylimidazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 45275255
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
5-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 24971381
(3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Amine
CID 45480169
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
2-(1h-Pyrazol-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90105293
4-{7H-Pyrrolo[2,3-d]pyrimidin-4-yl}morpholine
CID 9815628

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 56711617) is 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine is CCc1ncc2c(n1)CN(c1ncnc3[nH]ccc13)C2.
What is the InChIKey of 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MZQSHGYHKMYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-2-12-16-5-9-6-20(7-11(9)19-12)14-10-3-4-15-13(10)17-8-18-14/h3-5,8H,2,6-7H2,1H3,(H,15,17,18).
What are the key properties of 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 266.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 56711617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).