5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione

C16H18N4O4 — CID 132971327

IUPAC5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNc1c(C(=O)N2CCOC(Cc3ccccc3)C2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H18N4O4/c17-12-13(18-16(23)19-14(12)21)15(22)20-6-7-24-11(9-20)8-10-4-2-1-3-5-10/h1-5,11H,6-9,17H2,(H2,18,19,21,23)
InChIKeyRXNQMXYFWRNFKA-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.27
Rot. Bonds3

About 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione

5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 132971327) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID132971327
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNc1c(C(=O)N2CCOC(Cc3ccccc3)C2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H18N4O4/c17-12-13(18-16(23)19-14(12)21)15(22)20-6-7-24-11(9-20)8-10-4-2-1-3-5-10/h1-5,11H,6-9,17H2,(H2,18,19,21,23)
InChIKeyRXNQMXYFWRNFKA-UHFFFAOYSA-N
XLogP-0.27
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110740947
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286761
[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
CID 71801610
5-amino-6-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 166367952
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-(2-benzylmorpholin-4-yl)methanone
CID 154785720
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
CID 110740953
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
CID 56867974

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione (CID 132971327) is 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione is Nc1c(C(=O)N2CCOC(Cc3ccccc3)C2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RXNQMXYFWRNFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c17-12-13(18-16(23)19-14(12)21)15(22)20-6-7-24-11(9-20)8-10-4-2-1-3-5-10/h1-5,11H,6-9,17H2,(H2,18,19,21,23).
What are the key properties of 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione?
5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 330.34 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 132971327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).