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

C15H17N3O2 — CID 103400082

IUPAC2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1cc(OC)cc(-c2nc(C)c3c(n2)CNC3)c1
InChIInChI=1S/C15H17N3O2/c1-9-13-7-16-8-14(13)18-15(17-9)10-4-11(19-2)6-12(5-10)20-3/h4-6,16H,7-8H2,1-3H3
InChIKeyCMMCHNHLAURITJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.07
Rot. Bonds3

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

2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 103400082) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID103400082
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCOc1cc(OC)cc(-c2nc(C)c3c(n2)CNC3)c1
InChIInChI=1S/C15H17N3O2/c1-9-13-7-16-8-14(13)18-15(17-9)10-4-11(19-2)6-12(5-10)20-3/h4-6,16H,7-8H2,1-3H3
InChIKeyCMMCHNHLAURITJ-UHFFFAOYSA-N
XLogP2.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740173
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737684
2-(4-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742252
2-(5-bromo-3-pyridinyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740096
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
2-(3-bromo-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740177
2-[(3-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739988
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-methyl-2-(1-methylimidazol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740201
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740085
2-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740705

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 103400082) is 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is COc1cc(OC)cc(-c2nc(C)c3c(n2)CNC3)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is CMMCHNHLAURITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-13-7-16-8-14(13)18-15(17-9)10-4-11(19-2)6-12(5-10)20-3/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 103400082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).