ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate

C11H14FN3O3 — CID 58166422

IUPACethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1nc(=O)n(CC2CC2)cc1F
InChIInChI=1S/C11H14FN3O3/c1-2-18-11(17)14-9-8(12)6-15(10(16)13-9)5-7-3-4-7/h6-7H,2-5H2,1H3,(H,13,14,16,17)
InChIKeyIDCDGIXXEVWPTK-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.36
Rot. Bonds4

About ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate

ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate (PubChem CID 58166422) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
PubChem CID58166422
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Nameethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCCOC(=O)Nc1nc(=O)n(CC2CC2)cc1F
InChIInChI=1S/C11H14FN3O3/c1-2-18-11(17)14-9-8(12)6-15(10(16)13-9)5-7-3-4-7/h6-7H,2-5H2,1H3,(H,13,14,16,17)
InChIKeyIDCDGIXXEVWPTK-UHFFFAOYSA-N
XLogP1.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 58166431
methyl N-[1-(cyclopropylmethyl)-5-fluoro-2-hydroxy-2H-pyrimidin-4-yl]carbamate
CID 123827624
[1-(Cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamic acid
CID 141290000
methyl N-[5-fluoro-1-(3-methoxybutyl)-2-oxopyrimidin-4-yl]carbamate
CID 143827363
pentyl N-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamate
CID 170597258
butyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
CID 142440976
propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
CID 142440987
4-amino-1-(cyclopropylmethyl)-5-fluoropyrimidin-2-one;ethyl carbonochloridate;ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 159957971

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate (CID 58166422) is ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate is CCOC(=O)Nc1nc(=O)n(CC2CC2)cc1F.
What is the InChIKey of ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is IDCDGIXXEVWPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-2-18-11(17)14-9-8(12)6-15(10(16)13-9)5-7-3-4-7/h6-7H,2-5H2,1H3,(H,13,14,16,17).
What are the key properties of ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 255.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 58166422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).