(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid

C7H8FN3O3 — CID 146389036

IUPAC(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid
SMILESCCn1cc(F)c(NC(=O)O)nc1=O
InChIInChI=1S/C7H8FN3O3/c1-2-11-3-4(8)5(9-6(11)12)10-7(13)14/h3H,2H2,1H3,(H,13,14)(H,9,10,12)
InChIKeyDPFCDTWQRJECEI-UHFFFAOYSA-N
MW201.16 g/mol
LogP0.49
Rot. Bonds2

About (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid

(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid (PubChem CID 146389036) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid
PubChem CID146389036
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid
SMILESCCn1cc(F)c(NC(=O)O)nc1=O
InChIInChI=1S/C7H8FN3O3/c1-2-11-3-4(8)5(9-6(11)12)10-7(13)14/h3H,2H2,1H3,(H,13,14)(H,9,10,12)
InChIKeyDPFCDTWQRJECEI-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid?
The IUPAC name of (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid (CID 146389036) is (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid.
What is the SMILES notation for (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid?
The canonical SMILES for (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid is CCn1cc(F)c(NC(=O)O)nc1=O.
What is the InChIKey of (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid?
The InChIKey is DPFCDTWQRJECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-2-11-3-4(8)5(9-6(11)12)10-7(13)14/h3H,2H2,1H3,(H,13,14)(H,9,10,12).
What are the key properties of (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid?
(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid has a molecular weight of 201.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid is sourced from PubChem (CID 146389036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).