6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione

C19H23FN4O3 — CID 169167848

IUPAC6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(-c2cccc(F)c2)c1=O
InChIInChI=1S/C19H23FN4O3/c1-2-23-18(26)16(15(25)12-22-9-4-3-5-10-22)17(21)24(19(23)27)14-8-6-7-13(20)11-14/h6-8,11H,2-5,9-10,12,21H2,1H3
InChIKeyWQTYWROTUAQZJF-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.41
Rot. Bonds5

About 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione

6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione (PubChem CID 169167848) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
PubChem CID169167848
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(-c2cccc(F)c2)c1=O
InChIInChI=1S/C19H23FN4O3/c1-2-23-18(26)16(15(25)12-22-9-4-3-5-10-22)17(21)24(19(23)27)14-8-6-7-13(20)11-14/h6-8,11H,2-5,9-10,12,21H2,1H3
InChIKeyWQTYWROTUAQZJF-UHFFFAOYSA-N
XLogP1.41
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-3-ethyl-1-[(4-fluorophenyl)methyl]-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;1H-imidazole
CID 169167885
(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-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide
CID 169167959
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315
ethyl 2-[1-ethyl-3-(3-fluorophenyl)-2,6-dioxopurin-7-yl]propanoate
CID 46047030
1-ethyl-3-(3-fluorophenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione
CID 42862896
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
6-amino-5-[2-(2-cyclobutylpiperidin-1-yl)acetyl]-3-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 169167939
1-ethyl-3-(3-fluorophenyl)-7-prop-2-enylpurine-2,6-dione
CID 46047023
3-amino-7-fluoro-4-(2-pyrrolidin-1-ylacetyl)-2H-isoquinolin-1-one;hydrochloride
CID 23084705

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione (CID 169167848) is 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(-c2cccc(F)c2)c1=O.
What is the InChIKey of 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The InChIKey is WQTYWROTUAQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-23-18(26)16(15(25)12-22-9-4-3-5-10-22)17(21)24(19(23)27)14-8-6-7-13(20)11-14/h6-8,11H,2-5,9-10,12,21H2,1H3.
What are the key properties of 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione has a molecular weight of 374.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-1-(3-fluorophenyl)-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 169167848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).