4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C21H20FN3O2 — CID 3512719

IUPAC4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccccc2F)C2=C1CN(CCc1ccccc1)C2=O
InChIInChI=1S/C21H20FN3O2/c1-24-17-13-25(12-11-14-7-3-2-4-8-14)20(26)18(17)19(23-21(24)27)15-9-5-6-10-16(15)22/h2-10,19H,11-13H2,1H3,(H,23,27)
InChIKeyNPDLRPLVUUQJGW-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.86
Rot. Bonds4

About 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 3512719) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID3512719
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccccc2F)C2=C1CN(CCc1ccccc1)C2=O
InChIInChI=1S/C21H20FN3O2/c1-24-17-13-25(12-11-14-7-3-2-4-8-14)20(26)18(17)19(23-21(24)27)15-9-5-6-10-16(15)22/h2-10,19H,11-13H2,1H3,(H,23,27)
InChIKeyNPDLRPLVUUQJGW-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 3512719) is 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CN1C(=O)NC(c2ccccc2F)C2=C1CN(CCc1ccccc1)C2=O.
What is the InChIKey of 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is NPDLRPLVUUQJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-24-17-13-25(12-11-14-7-3-2-4-8-14)20(26)18(17)19(23-21(24)27)15-9-5-6-10-16(15)22/h2-10,19H,11-13H2,1H3,(H,23,27).
What are the key properties of 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 365.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-methyl-6-(2-phenylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 3512719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).