6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione

C16H17FN4O3 — CID 51087264

IUPAC6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O3/c1-20(10-4-2-9(17)3-5-10)8-12(22)13-14(18)21(11-6-7-11)16(24)19-15(13)23/h2-5,11H,6-8,18H2,1H3,(H,19,23,24)
InChIKeyVZOKBISBQJYCRE-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.91
Rot. Bonds5

About 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione

6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione (PubChem CID 51087264) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione
PubChem CID51087264
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H17FN4O3/c1-20(10-4-2-9(17)3-5-10)8-12(22)13-14(18)21(11-6-7-11)16(24)19-15(13)23/h2-5,11H,6-8,18H2,1H3,(H,19,23,24)
InChIKeyVZOKBISBQJYCRE-UHFFFAOYSA-N
XLogP0.91
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione (CID 51087264) is 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione is CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)c1ccc(F)cc1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione?
The InChIKey is VZOKBISBQJYCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-20(10-4-2-9(17)3-5-10)8-12(22)13-14(18)21(11-6-7-11)16(24)19-15(13)23/h2-5,11H,6-8,18H2,1H3,(H,19,23,24).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione has a molecular weight of 332.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-(4-fluoro-N-methylanilino)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 51087264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).