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

C14H13Cl2N3 — CID 107918389

IUPAC2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(-c2cc(Cl)cc(Cl)c2)nc2c1CNC2
InChIInChI=1S/C14H13Cl2N3/c1-2-12-11-6-17-7-13(11)19-14(18-12)8-3-9(15)5-10(16)4-8/h3-5,17H,2,6-7H2,1H3
InChIKeyJROZIGQENJDYPP-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.62
Rot. Bonds2

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

2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 107918389) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID107918389
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(-c2cc(Cl)cc(Cl)c2)nc2c1CNC2
InChIInChI=1S/C14H13Cl2N3/c1-2-12-11-6-17-7-13(11)19-14(18-12)8-3-9(15)5-10(16)4-8/h3-5,17H,2,6-7H2,1H3
InChIKeyJROZIGQENJDYPP-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 107918389) is 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(-c2cc(Cl)cc(Cl)c2)nc2c1CNC2.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is JROZIGQENJDYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c1-2-12-11-6-17-7-13(11)19-14(18-12)8-3-9(15)5-10(16)4-8/h3-5,17H,2,6-7H2,1H3.
What are the key properties of 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 294.19 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 107918389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).