5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide

C27H46FN5O5 — CID 14997853

IUPAC5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide
SMILESCCCC(CCC)C(=O)NCC(=O)NCCCCCCCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C27H46FN5O5/c1-3-15-21(16-4-2)24(35)31-19-23(34)29-17-13-11-9-7-5-6-8-10-12-14-18-30-26(37)33-20-22(28)25(36)32-27(33)38/h20-21H,3-19H2,1-2H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36,38)
InChIKeyWRNQQKVNYFLERV-UHFFFAOYSA-N
MW539.69 g/mol
LogP3.58
Rot. Bonds20

About 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide

5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide (PubChem CID 14997853) has the molecular formula C27H46FN5O5 and a molecular weight of 539.69 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide
PubChem CID14997853
Molecular FormulaC27H46FN5O5
Molecular Weight539.69 g/mol
Exact Mass539.35
IUPAC Name5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide
SMILESCCCC(CCC)C(=O)NCC(=O)NCCCCCCCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C27H46FN5O5/c1-3-15-21(16-4-2)24(35)31-19-23(34)29-17-13-11-9-7-5-6-8-10-12-14-18-30-26(37)33-20-22(28)25(36)32-27(33)38/h20-21H,3-19H2,1-2H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36,38)
InChIKeyWRNQQKVNYFLERV-UHFFFAOYSA-N
XLogP3.58
TPSA142.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.69
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide 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 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide (CID 14997853) is 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide is CCCC(CCC)C(=O)NCC(=O)NCCCCCCCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide?
The InChIKey is WRNQQKVNYFLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46FN5O5/c1-3-15-21(16-4-2)24(35)31-19-23(34)29-17-13-11-9-7-5-6-8-10-12-14-18-30-26(37)33-20-22(28)25(36)32-27(33)38/h20-21H,3-19H2,1-2H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36,38).
What are the key properties of 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide?
5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide has a molecular weight of 539.69 g/mol, XLogP of 3.58, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-N-[12-[[2-(2-propylpentanoylamino)acetyl]amino]dodecyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 14997853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).