[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid

C9H10FN3O3 — CID 141290000

IUPAC[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid
SMILESO=C(O)Nc1nc(=O)n(CC2CC2)cc1F
InChIInChI=1S/C9H10FN3O3/c10-6-4-13(3-5-1-2-5)8(14)11-7(6)12-9(15)16/h4-5H,1-3H2,(H,15,16)(H,11,12,14)
InChIKeyIMWUZSLYGUSDFI-UHFFFAOYSA-N
MW227.19 g/mol
LogP0.88
Rot. Bonds3

About [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid

[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid (PubChem CID 141290000) has the molecular formula C9H10FN3O3 and a molecular weight of 227.19 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid
PubChem CID141290000
Molecular FormulaC9H10FN3O3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid
SMILESO=C(O)Nc1nc(=O)n(CC2CC2)cc1F
InChIInChI=1S/C9H10FN3O3/c10-6-4-13(3-5-1-2-5)8(14)11-7(6)12-9(15)16/h4-5H,1-3H2,(H,15,16)(H,11,12,14)
InChIKeyIMWUZSLYGUSDFI-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(cyclopropylmethyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
CID 58166422
4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2(1H)-one
CID 58166432
methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate
CID 123827624
(5-Fluoro-2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamic acid
CID 146389035
(1-Ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamic acid
CID 146389036

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid?
The IUPAC name of [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid (CID 141290000) is [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid?
The canonical SMILES for [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid is O=C(O)Nc1nc(=O)n(CC2CC2)cc1F.
What is the InChIKey of [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid?
The InChIKey is IMWUZSLYGUSDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3/c10-6-4-13(3-5-1-2-5)8(14)11-7(6)12-9(15)16/h4-5H,1-3H2,(H,15,16)(H,11,12,14).
What are the key properties of [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid?
[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid has a molecular weight of 227.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid is sourced from PubChem (CID 141290000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).