2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate

C11H16FN3O3 — CID 58166477

IUPAC2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate
SMILESCC(C)COC(=O)N(C)c1nc(=O)n(C)cc1F
InChIInChI=1S/C11H16FN3O3/c1-7(2)6-18-11(17)15(4)9-8(12)5-14(3)10(16)13-9/h5,7H,6H2,1-4H3
InChIKeyRPLFLBFQHDVWLK-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.15
Rot. Bonds3

About 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate

2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate (PubChem CID 58166477) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate
PubChem CID58166477
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate
SMILESCC(C)COC(=O)N(C)c1nc(=O)n(C)cc1F
InChIInChI=1S/C11H16FN3O3/c1-7(2)6-18-11(17)15(4)9-8(12)5-14(3)10(16)13-9/h5,7H,6H2,1-4H3
InChIKeyRPLFLBFQHDVWLK-UHFFFAOYSA-N
XLogP1.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino-methyleneamino)-5-fluoro-2-oxo-2H-pyrimidine-1-carboxylic acid 2,2-dimethyl-propyl ester
CID 50898356
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 58166431
2,2-dimethylpropionic acid 4-(dimethylamino-methyleneamino)-5-fluoro-2-oxo-2H-pyrimidin-1-ylmethyl ester
CID 58166473
pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 118391654
2-methylpropyl N-[(E)-2-fluoro-3-(methylamino)prop-2-enimidoyl]-N-methylcarbamate
CID 136490766

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate (CID 58166477) is 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate is CC(C)COC(=O)N(C)c1nc(=O)n(C)cc1F.
What is the InChIKey of 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate?
The InChIKey is RPLFLBFQHDVWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-7(2)6-18-11(17)15(4)9-8(12)5-14(3)10(16)13-9/h5,7H,6H2,1-4H3.
What are the key properties of 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate?
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate has a molecular weight of 257.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate is sourced from PubChem (CID 58166477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).