5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione

C10H14FN3O2 — CID 178111898

IUPAC5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CCN2CC(F)C2)c1=O
InChIInChI=1S/C10H14FN3O2/c1-13-9(15)7(4-12-10(13)16)2-3-14-5-8(11)6-14/h4,8H,2-3,5-6H2,1H3,(H,12,16)
InChIKeyONRIMQRMARWJTB-UHFFFAOYSA-N
MW227.24 g/mol
LogP-0.73
Rot. Bonds3

About 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 178111898) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID178111898
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CCN2CC(F)C2)c1=O
InChIInChI=1S/C10H14FN3O2/c1-13-9(15)7(4-12-10(13)16)2-3-14-5-8(11)6-14/h4,8H,2-3,5-6H2,1H3,(H,12,16)
InChIKeyONRIMQRMARWJTB-UHFFFAOYSA-N
XLogP-0.73
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 178111898) is 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CCN2CC(F)C2)c1=O.
What is the InChIKey of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is ONRIMQRMARWJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-13-9(15)7(4-12-10(13)16)2-3-14-5-8(11)6-14/h4,8H,2-3,5-6H2,1H3,(H,12,16).
What are the key properties of 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 227.24 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluoroazetidin-1-yl)ethyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 178111898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).