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

C16H19N3 — CID 114740025

IUPAC2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1cc(C)cc(Cc2nc(C)c3c(n2)CNC3)c1
InChIInChI=1S/C16H19N3/c1-10-4-11(2)6-13(5-10)7-16-18-12(3)14-8-17-9-15(14)19-16/h4-6,17H,7-9H2,1-3H3
InChIKeyIOYJQQXJSRWJGW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.60
Rot. Bonds2

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

2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740025) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740025
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1cc(C)cc(Cc2nc(C)c3c(n2)CNC3)c1
InChIInChI=1S/C16H19N3/c1-10-4-11(2)6-13(5-10)7-16-18-12(3)14-8-17-9-15(14)19-16/h4-6,17H,7-9H2,1-3H3
InChIKeyIOYJQQXJSRWJGW-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740025) is 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1cc(C)cc(Cc2nc(C)c3c(n2)CNC3)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is IOYJQQXJSRWJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-4-11(2)6-13(5-10)7-16-18-12(3)14-8-17-9-15(14)19-16/h4-6,17H,7-9H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 253.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).