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

C16H19N3O — CID 114740817

IUPAC4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(C(OC)c2ccccc2)nc2c1CNC2
InChIInChI=1S/C16H19N3O/c1-3-13-12-9-17-10-14(12)19-16(18-13)15(20-2)11-7-5-4-6-8-11/h4-8,15,17H,3,9-10H2,1-2H3
InChIKeyBUEYSQKAFMDTIP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.38
Rot. Bonds4

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

4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740817) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740817
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(C(OC)c2ccccc2)nc2c1CNC2
InChIInChI=1S/C16H19N3O/c1-3-13-12-9-17-10-14(12)19-16(18-13)15(20-2)11-7-5-4-6-8-11/h4-8,15,17H,3,9-10H2,1-2H3
InChIKeyBUEYSQKAFMDTIP-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740817) is 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(C(OC)c2ccccc2)nc2c1CNC2.
What is the InChIKey of 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is BUEYSQKAFMDTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-13-12-9-17-10-14(12)19-16(18-13)15(20-2)11-7-5-4-6-8-11/h4-8,15,17H,3,9-10H2,1-2H3.
What are the key properties of 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methoxy(phenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).