6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C18H19FN6O2 — CID 167898717

IUPAC6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CC[C@@H](Nc3ccnc4cc(F)cnc34)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H19FN6O2/c1-23-15(8-16(26)24(2)18(23)27)25-6-4-12(10-25)22-13-3-5-20-14-7-11(19)9-21-17(13)14/h3,5,7-9,12H,4,6,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyNWWFXQBVKSWSQG-GFCCVEGCSA-N
MW370.39 g/mol
LogP0.86
Rot. Bonds3

About 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 167898717) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID167898717
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CC[C@@H](Nc3ccnc4cc(F)cnc34)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H19FN6O2/c1-23-15(8-16(26)24(2)18(23)27)25-6-4-12(10-25)22-13-3-5-20-14-7-11(19)9-21-17(13)14/h3,5,7-9,12H,4,6,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyNWWFXQBVKSWSQG-GFCCVEGCSA-N
XLogP0.86
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 167898717) is 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N2CC[C@@H](Nc3ccnc4cc(F)cnc34)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NWWFXQBVKSWSQG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-23-15(8-16(26)24(2)18(23)27)25-6-4-12(10-25)22-13-3-5-20-14-7-11(19)9-21-17(13)14/h3,5,7-9,12H,4,6,10H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 370.39 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pyrrolidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 167898717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).