1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid

C7H8FN3O2 — CID 67123942

IUPAC1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1ncc(F)cn1
InChIInChI=1S/C7H8FN3O2/c1-4(11-7(12)13)6-9-2-5(8)3-10-6/h2-4,11H,1H3,(H,12,13)
InChIKeyWHWQUSFTHYYQKA-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.94
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid

1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid (PubChem CID 67123942) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid
PubChem CID67123942
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1ncc(F)cn1
InChIInChI=1S/C7H8FN3O2/c1-4(11-7(12)13)6-9-2-5(8)3-10-6/h2-4,11H,1H3,(H,12,13)
InChIKeyWHWQUSFTHYYQKA-UHFFFAOYSA-N
XLogP0.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Fluoropyrimidin-2-yl)ethan-1-amine hydrochloride
CID 53407050
(R)-1-(5-Fluoropyrimidin-2-yl)ethanamine hydrochloride
CID 67123856
N-(1-(5-Fluoropyrimidin-2-yl)vinyl)acetamide
CID 45119272
1-(5-Fluoropyrimidin-2-yl)ethan-1-amine
CID 50994814
(S)-1-(5-Fluoropyrimidin-2-YL)ethanamine
CID 55285341
(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)acetamide
CID 58367416
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
(S)-tert-butyl 1-(5-fluoropyrimidin-2-yl)ethylcarbamate
CID 58367398
tert-butyl-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
CID 66623930
[(1S)-1-(5-fluoropyrimidin-2-yl)-3,3-dimethylbutyl]carbamic acid
CID 66623931
Tert-butyl-[1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
CID 66623932
N-[1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
CID 66624238

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid (CID 67123942) is 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid is CC(NC(=O)O)c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid?
The InChIKey is WHWQUSFTHYYQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-4(11-7(12)13)6-9-2-5(8)3-10-6/h2-4,11H,1H3,(H,12,13).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid?
1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid has a molecular weight of 185.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)ethylcarbamic acid is sourced from PubChem (CID 67123942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).