N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide

C17H17FN4O3 — CID 53040078

IUPACN-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC2)c(=O)n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN4O3/c1-10-19-8-12(16(24)20-11-6-7-11)17(25)22(10)9-15(23)21-14-5-3-2-4-13(14)18/h2-5,8,11H,6-7,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyJEDMAVSKNXHTKB-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.22
Rot. Bonds5

About N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide

N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 53040078) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID53040078
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC2)c(=O)n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN4O3/c1-10-19-8-12(16(24)20-11-6-7-11)17(25)22(10)9-15(23)21-14-5-3-2-4-13(14)18/h2-5,8,11H,6-7,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyJEDMAVSKNXHTKB-UHFFFAOYSA-N
XLogP1.22
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide (CID 53040078) is N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CC2)c(=O)n1CC(=O)Nc1ccccc1F.
What is the InChIKey of N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is JEDMAVSKNXHTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-10-19-8-12(16(24)20-11-6-7-11)17(25)22(10)9-15(23)21-14-5-3-2-4-13(14)18/h2-5,8,11H,6-7,9H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide?
N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 53040078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).