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

C10H14FN3O3 — CID 58166431

IUPAC2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
SMILESCC(C)COC(=O)Nc1nc(=O)n(C)cc1F
InChIInChI=1S/C10H14FN3O3/c1-6(2)5-17-10(16)13-8-7(11)4-14(3)9(15)12-8/h4,6H,5H2,1-3H3,(H,12,13,15,16)
InChIKeyLXUPPSPVGQYTHP-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.12
Rot. Bonds3

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

2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate (PubChem CID 58166431) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
PubChem CID58166431
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
SMILESCC(C)COC(=O)Nc1nc(=O)n(C)cc1F
InChIInChI=1S/C10H14FN3O3/c1-6(2)5-17-10(16)13-8-7(11)4-14(3)9(15)12-8/h4,6H,5H2,1-3H3,(H,12,13,15,16)
InChIKeyLXUPPSPVGQYTHP-UHFFFAOYSA-N
XLogP1.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138315
Ethyl 1-(cyclopropylmethyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
CID 58166422
ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate
CID 58166427
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate
CID 58166477
4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
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
pentyl N-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamate
CID 170597258
2-methylpropyl N-[(E)-2-fluoro-3-(methylamino)prop-2-enimidoyl]carbamate
CID 173475752
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
hexyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 142440997

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate (CID 58166431) is 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate is CC(C)COC(=O)Nc1nc(=O)n(C)cc1F.
What is the InChIKey of 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate?
The InChIKey is LXUPPSPVGQYTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-6(2)5-17-10(16)13-8-7(11)4-14(3)9(15)12-8/h4,6H,5H2,1-3H3,(H,12,13,15,16).
What are the key properties of 2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate?
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate has a molecular weight of 243.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 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)carbamate is sourced from PubChem (CID 58166431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).