7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione

C14H14FN3O2 — CID 83855529

IUPAC7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCN1Cc2c([nH]c(=O)[nH]c2=O)C1(C)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O2/c1-14(8-4-3-5-9(15)6-8)11-10(7-18(14)2)12(19)17-13(20)16-11/h3-6H,7H2,1-2H3,(H2,16,17,19,20)
InChIKeyCTUPANSMADVFHT-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.91
Rot. Bonds1

About 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione

7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 83855529) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID83855529
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCN1Cc2c([nH]c(=O)[nH]c2=O)C1(C)c1cccc(F)c1
InChIInChI=1S/C14H14FN3O2/c1-14(8-4-3-5-9(15)6-8)11-10(7-18(14)2)12(19)17-13(20)16-11/h3-6H,7H2,1-2H3,(H2,16,17,19,20)
InChIKeyCTUPANSMADVFHT-UHFFFAOYSA-N
XLogP0.91
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione (CID 83855529) is 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione is CN1Cc2c([nH]c(=O)[nH]c2=O)C1(C)c1cccc(F)c1.
What is the InChIKey of 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is CTUPANSMADVFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-14(8-4-3-5-9(15)6-8)11-10(7-18(14)2)12(19)17-13(20)16-11/h3-6H,7H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione?
7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 275.28 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-6,7-dimethyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 83855529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).