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

C16H19N3O2 — CID 114740705

IUPAC2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(-c2ccc(OC)c(OC)c2)nc2c1CNC2
InChIInChI=1S/C16H19N3O2/c1-4-12-11-8-17-9-13(11)19-16(18-12)10-5-6-14(20-2)15(7-10)21-3/h5-7,17H,4,8-9H2,1-3H3
InChIKeyLGPYUYSCVDCNFR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.33
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740705) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740705
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(-c2ccc(OC)c(OC)c2)nc2c1CNC2
InChIInChI=1S/C16H19N3O2/c1-4-12-11-8-17-9-13(11)19-16(18-12)10-5-6-14(20-2)15(7-10)21-3/h5-7,17H,4,8-9H2,1-3H3
InChIKeyLGPYUYSCVDCNFR-UHFFFAOYSA-N
XLogP2.33
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline
CID 114740932
2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 107918389
2-(3,4-dichlorophenyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741176
2-(3,4-dichlorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742556
4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 66292796
4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740855
2-(3-bromo-4-methylphenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107916117
2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738485
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740817
2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740752
2,4-bis(3,4-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 101176072

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740705) is 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(-c2ccc(OC)c(OC)c2)nc2c1CNC2.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is LGPYUYSCVDCNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-12-11-8-17-9-13(11)19-16(18-12)10-5-6-14(20-2)15(7-10)21-3/h5-7,17H,4,8-9H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 285.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).