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

C16H20N4 — CID 114741089

IUPAC2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(-c2ncccc2CC)nc2c1CNC2
InChIInChI=1S/C16H20N4/c1-3-6-13-12-9-17-10-14(12)20-16(19-13)15-11(4-2)7-5-8-18-15/h5,7-8,17H,3-4,6,9-10H2,1-2H3
InChIKeyWYJKCAWFXQSPBM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.66
Rot. Bonds4

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

2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741089) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741089
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(-c2ncccc2CC)nc2c1CNC2
InChIInChI=1S/C16H20N4/c1-3-6-13-12-9-17-10-14(12)20-16(19-13)15-11(4-2)7-5-8-18-15/h5,7-8,17H,3-4,6,9-10H2,1-2H3
InChIKeyWYJKCAWFXQSPBM-UHFFFAOYSA-N
XLogP2.66
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-2-pyridinyl)-4-propyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741089) is 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCCc1nc(-c2ncccc2CC)nc2c1CNC2.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is WYJKCAWFXQSPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-6-13-12-9-17-10-14(12)20-16(19-13)15-11(4-2)7-5-8-18-15/h5,7-8,17H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).