2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C14H15N3 — CID 114740532

IUPAC2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1ccc(-c2ncc3c(n2)CNC3)cc1
InChIInChI=1S/C14H15N3/c1-2-10-3-5-11(6-4-10)14-16-8-12-7-15-9-13(12)17-14/h3-6,8,15H,2,7,9H2,1H3
InChIKeyYFRZBPWNFSGRBQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.31
Rot. Bonds2

About 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740532) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740532
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1ccc(-c2ncc3c(n2)CNC3)cc1
InChIInChI=1S/C14H15N3/c1-2-10-3-5-11(6-4-10)14-16-8-12-7-15-9-13(12)17-14/h3-6,8,15H,2,7,9H2,1H3
InChIKeyYFRZBPWNFSGRBQ-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine
CID 114740551
2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424400
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280
2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008870
2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740657
2-(2-bromo-5-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114016466
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 66301850
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305
N,N-diethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride
CID 86263343
2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738407
2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738324
2-(4-ethylphenyl)-7-methylpurine
CID 163305532

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740532) is 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1ccc(-c2ncc3c(n2)CNC3)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is YFRZBPWNFSGRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-10-3-5-11(6-4-10)14-16-8-12-7-15-9-13(12)17-14/h3-6,8,15H,2,7,9H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 225.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).