6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole

C23H29FN6O3 — CID 169167885

IUPAC6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cc2)c1=O.c1c[nH]cn1
InChIInChI=1S/C20H25FN4O3.C3H4N2/c1-2-24-19(27)17(16(26)13-23-10-4-3-5-11-23)18(22)25(20(24)28)12-14-6-8-15(21)9-7-14;1-2-5-3-4-1/h6-9H,2-5,10-13,22H2,1H3;1-3H,(H,4,5)
InChIKeyBKRZNBODLFIYKD-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.88
Rot. Bonds6

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

6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole (PubChem CID 169167885) has the molecular formula C23H29FN6O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole.

Molecular Properties

Compound Name6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole
PubChem CID169167885
Molecular FormulaC23H29FN6O3
Molecular Weight456.52 g/mol
Exact Mass456.23
IUPAC Name6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cc2)c1=O.c1c[nH]cn1
InChIInChI=1S/C20H25FN4O3.C3H4N2/c1-2-24-19(27)17(16(26)13-23-10-4-3-5-11-23)18(22)25(20(24)28)12-14-6-8-15(21)9-7-14;1-2-5-3-4-1/h6-9H,2-5,10-13,22H2,1H3;1-3H,(H,4,5)
InChIKeyBKRZNBODLFIYKD-UHFFFAOYSA-N
XLogP1.88
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-1-[(2,4-difluorophenyl)methyl]-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
CID 169167782
6-amino-3-ethyl-1-[(5-fluoro-2-pyridinyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;formamide
CID 169167817
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167939
6-amino-1-benzyl-5-[2-(4-benzylpiperazin-1-yl)acetyl]-3-ethylpyrimidine-2,4-dione
CID 2091532
6-amino-5-[2-[(2R)-2-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167799
6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
CID 169167848
6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
CID 2086357
(2R)-1-[2-[4-amino-1-ethyl-3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169167858
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315
(2R)-1-[2-[4-amino-1-ethyl-2,6-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169168003
(2S)-2-[[2-[4-amino-1-ethyl-3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]amino]-3-phenylpropanamide
CID 169167916
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-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole?
The IUPAC name of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole (CID 169167885) is 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole.
What is the SMILES notation for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole?
The canonical SMILES for 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole is CCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccc(F)cc2)c1=O.c1c[nH]cn1.
What is the InChIKey of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole?
The InChIKey is BKRZNBODLFIYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3.C3H4N2/c1-2-24-19(27)17(16(26)13-23-10-4-3-5-11-23)18(22)25(20(24)28)12-14-6-8-15(21)9-7-14;1-2-5-3-4-1/h6-9H,2-5,10-13,22H2,1H3;1-3H,(H,4,5).
What are the key properties of 6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole?
6-amino-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole has a molecular weight of 456.52 g/mol, XLogP of 1.88, 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-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole is sourced from PubChem (CID 169167885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).