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

C11H17N3O — CID 114740071

IUPAC2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC(C)Cc1nc(C)c2c(n1)CNC2
InChIInChI=1S/C11H17N3O/c1-7(15-3)4-11-13-8(2)9-5-12-6-10(9)14-11/h7,12H,4-6H2,1-3H3
InChIKeyQONOUGJKNIQIMK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds3

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

2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740071) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740071
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOC(C)Cc1nc(C)c2c(n1)CNC2
InChIInChI=1S/C11H17N3O/c1-7(15-3)4-11-13-8(2)9-5-12-6-10(9)14-11/h7,12H,4-6H2,1-3H3
InChIKeyQONOUGJKNIQIMK-UHFFFAOYSA-N
XLogP0.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxypropyl)-4-methyl-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-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740071) is 2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COC(C)Cc1nc(C)c2c(n1)CNC2.
What is the InChIKey of 2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is QONOUGJKNIQIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(15-3)4-11-13-8(2)9-5-12-6-10(9)14-11/h7,12H,4-6H2,1-3H3.
What are the key properties of 2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 207.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).