6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

C14H19FN4O3 — CID 167970103

IUPAC6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESNCC1(F)CC(C(=O)N2CCC(c3cc(=O)[nH]c(=O)[nH]3)C2)C1
InChIInChI=1S/C14H19FN4O3/c15-14(7-16)4-9(5-14)12(21)19-2-1-8(6-19)10-3-11(20)18-13(22)17-10/h3,8-9H,1-2,4-7,16H2,(H2,17,18,20,22)
InChIKeyYDVXYBJNBDTXGA-UHFFFAOYSA-N
MW310.33 g/mol
LogP-0.54
Rot. Bonds3

About 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione

6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 167970103) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID167970103
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Name6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione
SMILESNCC1(F)CC(C(=O)N2CCC(c3cc(=O)[nH]c(=O)[nH]3)C2)C1
InChIInChI=1S/C14H19FN4O3/c15-14(7-16)4-9(5-14)12(21)19-2-1-8(6-19)10-3-11(20)18-13(22)17-10/h3,8-9H,1-2,4-7,16H2,(H2,17,18,20,22)
InChIKeyYDVXYBJNBDTXGA-UHFFFAOYSA-N
XLogP-0.54
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione (CID 167970103) is 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is NCC1(F)CC(C(=O)N2CCC(c3cc(=O)[nH]c(=O)[nH]3)C2)C1.
What is the InChIKey of 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is YDVXYBJNBDTXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O3/c15-14(7-16)4-9(5-14)12(21)19-2-1-8(6-19)10-3-11(20)18-13(22)17-10/h3,8-9H,1-2,4-7,16H2,(H2,17,18,20,22).
What are the key properties of 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione?
6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 310.33 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(aminomethyl)-3-fluorocyclobutanecarbonyl]pyrrolidin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 167970103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).