6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione

C19H22FN5O4 — CID 169167938

IUPAC6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCNC(=O)C2)c(N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H22FN5O4/c1-2-24-18(28)16(14(26)10-23-8-7-22-15(27)11-23)17(21)25(19(24)29)9-12-3-5-13(20)6-4-12/h3-6H,2,7-11,21H2,1H3,(H,22,27)
InChIKeyOOEUIGYKIMKNGK-UHFFFAOYSA-N
MW403.41 g/mol
LogP-0.59
Rot. Bonds6

About 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione

6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 169167938) has the molecular formula C19H22FN5O4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione
PubChem CID169167938
Molecular FormulaC19H22FN5O4
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC Name6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCNC(=O)C2)c(N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H22FN5O4/c1-2-24-18(28)16(14(26)10-23-8-7-22-15(27)11-23)17(21)25(19(24)29)9-12-3-5-13(20)6-4-12/h3-6H,2,7-11,21H2,1H3,(H,22,27)
InChIKeyOOEUIGYKIMKNGK-UHFFFAOYSA-N
XLogP-0.59
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)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-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione (CID 169167938) is 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCNC(=O)C2)c(N)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is OOEUIGYKIMKNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4/c1-2-24-18(28)16(14(26)10-23-8-7-22-15(27)11-23)17(21)25(19(24)29)9-12-3-5-13(20)6-4-12/h3-6H,2,7-11,21H2,1H3,(H,22,27).
What are the key properties of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione?
6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 403.41 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 169167938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).