N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide

C11H16FN3O2 — CID 134382879

IUPACN-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccn(CCCF)c(=O)n1
InChIInChI=1S/C11H16FN3O2/c1-8(2)10(16)13-9-4-7-15(6-3-5-12)11(17)14-9/h4,7-8H,3,5-6H2,1-2H3,(H,13,14,16,17)
InChIKeyQENGHCLSMYOMBA-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.20
Rot. Bonds5

About N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide

N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide (PubChem CID 134382879) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide
PubChem CID134382879
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC NameN-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccn(CCCF)c(=O)n1
InChIInChI=1S/C11H16FN3O2/c1-8(2)10(16)13-9-4-7-15(6-3-5-12)11(17)14-9/h4,7-8H,3,5-6H2,1-2H3,(H,13,14,16,17)
InChIKeyQENGHCLSMYOMBA-UHFFFAOYSA-N
XLogP1.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide (CID 134382879) is N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccn(CCCF)c(=O)n1.
What is the InChIKey of N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is QENGHCLSMYOMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-8(2)10(16)13-9-4-7-15(6-3-5-12)11(17)14-9/h4,7-8H,3,5-6H2,1-2H3,(H,13,14,16,17).
What are the key properties of N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide?
N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 241.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoropropyl)-2-oxopyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 134382879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).