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

C20H24FN5O4 — CID 169167868

IUPAC6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCNC(=O)C2C)c(N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H24FN5O4/c1-3-25-19(29)16(15(27)11-24-9-8-23-18(28)12(24)2)17(22)26(20(25)30)10-13-4-6-14(21)7-5-13/h4-7,12H,3,8-11,22H2,1-2H3,(H,23,28)
InChIKeySMSURVKMBWFIJI-UHFFFAOYSA-N
MW417.44 g/mol
LogP-0.20
Rot. Bonds6

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

6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 169167868) has the molecular formula C20H24FN5O4 and a molecular weight of 417.44 g/mol. Its IUPAC name is 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione
PubChem CID169167868
Molecular FormulaC20H24FN5O4
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCNC(=O)C2C)c(N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H24FN5O4/c1-3-25-19(29)16(15(27)11-24-9-8-23-18(28)12(24)2)17(22)26(20(25)30)10-13-4-6-14(21)7-5-13/h4-7,12H,3,8-11,22H2,1-2H3,(H,23,28)
InChIKeySMSURVKMBWFIJI-UHFFFAOYSA-N
XLogP-0.20
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-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-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione (CID 169167868) is 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-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-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCNC(=O)C2C)c(N)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is SMSURVKMBWFIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O4/c1-3-25-19(29)16(15(27)11-24-9-8-23-18(28)12(24)2)17(22)26(20(25)30)10-13-4-6-14(21)7-5-13/h4-7,12H,3,8-11,22H2,1-2H3,(H,23,28).
What are the key properties of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione?
6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-[2-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 417.44 g/mol, XLogP of -0.20, 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-(2-methyl-3-oxopiperazin-1-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 169167868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).