5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C15H24N4O4 — CID 3721696

IUPAC5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\CCN1CCOCC1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O4/c1-4-11(16-5-6-19-7-9-23-10-8-19)12-13(20)17(2)15(22)18(3)14(12)21/h20H,4-10H2,1-3H3/b16-11+
InChIKeyDOUZAVVXJKOYKS-LFIBNONCSA-N
MW324.38 g/mol
LogP-0.68
Rot. Bonds5

About 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 3721696) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID3721696
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\CCN1CCOCC1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O4/c1-4-11(16-5-6-19-7-9-23-10-8-19)12-13(20)17(2)15(22)18(3)14(12)21/h20H,4-10H2,1-3H3/b16-11+
InChIKeyDOUZAVVXJKOYKS-LFIBNONCSA-N
XLogP-0.68
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812444
6-hydroxy-1,3-dimethyl-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 4269333
5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 3724319
N-hydroxy-N'-(2-morpholin-4-ylethyl)ethanimidamide
CID 54363769
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
N'-(3-morpholin-4-ylpropyl)propanimidamide
CID 63175512
1-cyclohexyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 4594904
1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 1400115
1,3-dimethyl-4-(2-morpholin-4-ylethylsulfanyl)-2,6-dioxopyrimidine-5-carbonitrile
CID 133408511
5-[N-[2-(4-acetylpiperazin-1-yl)ethyl]-C-ethylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 3778494
1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 736564
4-hydroxy-1-methyl-3-(3-morpholin-4-ylpropanoyl)quinolin-2-one
CID 163183627

Frequently Asked Questions

What is the IUPAC name of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 3721696) is 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CC/C(=N\CCN1CCOCC1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is DOUZAVVXJKOYKS-LFIBNONCSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-4-11(16-5-6-19-7-9-23-10-8-19)12-13(20)17(2)15(22)18(3)14(12)21/h20H,4-10H2,1-3H3/b16-11+.
What are the key properties of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 324.38 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3721696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).