6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione

C15H19FN4O3 — CID 110923166

IUPAC6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N(C)CC(O)c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H19FN4O3/c1-3-20-13(17)12(14(22)18-15(20)23)19(2)8-11(21)9-4-6-10(16)7-5-9/h4-7,11,21H,3,8,17H2,1-2H3,(H,18,22,23)
InChIKeyLNVJQELMRVUCBM-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.45
Rot. Bonds5

About 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione (PubChem CID 110923166) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione
PubChem CID110923166
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC Name6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N(C)CC(O)c2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H19FN4O3/c1-3-20-13(17)12(14(22)18-15(20)23)19(2)8-11(21)9-4-6-10(16)7-5-9/h4-7,11,21H,3,8,17H2,1-2H3,(H,18,22,23)
InChIKeyLNVJQELMRVUCBM-UHFFFAOYSA-N
XLogP0.45
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione
CID 110931812
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86977286
6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 114952196
6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
CID 60649098
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-fluoro-N-methylanilino)acetamide
CID 55839982
6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione
CID 94458615
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-bromo-5-fluoro-N-methylbenzamide
CID 46611762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996
6-amino-1-benzyl-5-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]pyrimidine-2,4-dione
CID 78838894

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione (CID 110923166) is 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione is CCn1c(N)c(N(C)CC(O)c2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione?
The InChIKey is LNVJQELMRVUCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-3-20-13(17)12(14(22)18-15(20)23)19(2)8-11(21)9-4-6-10(16)7-5-9/h4-7,11,21H,3,8,17H2,1-2H3,(H,18,22,23).
What are the key properties of 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione has a molecular weight of 322.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 110923166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).