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

C24H31FN4O3 — CID 169167939

IUPAC6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2C2CCC2)c(N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C24H31FN4O3/c1-2-28-23(31)21(20(30)15-27-13-4-3-8-19(27)17-6-5-7-17)22(26)29(24(28)32)14-16-9-11-18(25)12-10-16/h9-12,17,19H,2-8,13-15,26H2,1H3
InChIKeyVLLOITWUQDZURG-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.64
Rot. Bonds7

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

6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 169167939) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID169167939
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2C2CCC2)c(N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C24H31FN4O3/c1-2-28-23(31)21(20(30)15-27-13-4-3-8-19(27)17-6-5-7-17)22(26)29(24(28)32)14-16-9-11-18(25)12-10-16/h9-12,17,19H,2-8,13-15,26H2,1H3
InChIKeyVLLOITWUQDZURG-UHFFFAOYSA-N
XLogP2.64
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CID 169167939) is 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCCCC2C2CCC2)c(N)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is VLLOITWUQDZURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-2-28-23(31)21(20(30)15-27-13-4-3-8-19(27)17-6-5-7-17)22(26)29(24(28)32)14-16-9-11-18(25)12-10-16/h9-12,17,19H,2-8,13-15,26H2,1H3.
What are the key properties of 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 442.54 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 169167939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).