6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione

C20H24F2N4O3 — CID 169167782

IUPAC6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C20H24F2N4O3/c1-2-25-19(28)17(16(27)12-24-8-4-3-5-9-24)18(23)26(20(25)29)11-13-6-7-14(21)10-15(13)22/h6-7,10H,2-5,8-9,11-12,23H2,1H3
InChIKeyXOFKRVBXUJAJFG-UHFFFAOYSA-N
MW406.43 g/mol
LogP1.61
Rot. Bonds6

About 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione

6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione (PubChem CID 169167782) has the molecular formula C20H24F2N4O3 and a molecular weight of 406.43 g/mol. Its IUPAC name is 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
PubChem CID169167782
Molecular FormulaC20H24F2N4O3
Molecular Weight406.43 g/mol
Exact Mass406.18
IUPAC Name6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C20H24F2N4O3/c1-2-25-19(28)17(16(27)12-24-8-4-3-5-9-24)18(23)26(20(25)29)11-13-6-7-14(21)10-15(13)22/h6-7,10H,2-5,8-9,11-12,23H2,1H3
InChIKeyXOFKRVBXUJAJFG-UHFFFAOYSA-N
XLogP1.61
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide
CID 169167817
6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
CID 169167848
6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole
CID 169167885
6-amino-1-benzyl-5-[2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetyl]-3-ethylpyrimidine-2,4-dione
CID 55838723
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167939
(2R)-1-[2-[4-amino-1-ethyl-3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169167858
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 2,4-difluorobenzoate
CID 55372418
2-[[2-[4-amino-1-ethyl-3-[(4-fluoro-2-methoxyphenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 169168037
6-amino-5-[2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 37385330
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione (CID 169167782) is 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The InChIKey is XOFKRVBXUJAJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3/c1-2-25-19(28)17(16(27)12-24-8-4-3-5-9-24)18(23)26(20(25)29)11-13-6-7-14(21)10-15(13)22/h6-7,10H,2-5,8-9,11-12,23H2,1H3.
What are the key properties of 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione has a molecular weight of 406.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 169167782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).