3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid

C16H25N3O7 — CID 90486333

IUPAC3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid
SMILESCc1cc(=O)n(C)c(=O)n1CCCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H23N3O3.C2H2O4/c1-12-11-13(18)15(2)14(19)17(12)6-4-3-5-16-7-9-20-10-8-16;3-1(4)2(5)6/h11H,3-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBUQBORXMIIPTEM-UHFFFAOYSA-N
MW371.39 g/mol
LogP-0.88
Rot. Bonds5

About 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid

3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid (PubChem CID 90486333) has the molecular formula C16H25N3O7 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid.

Molecular Properties

Compound Name3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid
PubChem CID90486333
Molecular FormulaC16H25N3O7
Molecular Weight371.39 g/mol
Exact Mass371.17
IUPAC Name3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid
SMILESCc1cc(=O)n(C)c(=O)n1CCCCN1CCOCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H23N3O3.C2H2O4/c1-12-11-13(18)15(2)14(19)17(12)6-4-3-5-16-7-9-20-10-8-16;3-1(4)2(5)6/h11H,3-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyBUQBORXMIIPTEM-UHFFFAOYSA-N
XLogP-0.88
TPSA131.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-1-propylpyrimidine-2,4-dione
CID 91622846
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
6-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxylic acid
CID 55125700
2-[5-methyl-1-(3-morpholin-4-ylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 81337385
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
3,4-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 25246712
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 2148149
3-[2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrol-3-yl]-3-oxopropanoic acid
CID 170887151
1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid
CID 82099993
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid?
The IUPAC name of 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid (CID 90486333) is 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid.
What is the SMILES notation for 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid?
The canonical SMILES for 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid is Cc1cc(=O)n(C)c(=O)n1CCCCN1CCOCC1.O=C(O)C(=O)O.
What is the InChIKey of 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid?
The InChIKey is BUQBORXMIIPTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3.C2H2O4/c1-12-11-13(18)15(2)14(19)17(12)6-4-3-5-16-7-9-20-10-8-16;3-1(4)2(5)6/h11H,3-10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid?
3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid has a molecular weight of 371.39 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(4-morpholin-4-ylbutyl)pyrimidine-2,4-dione;oxalic acid is sourced from PubChem (CID 90486333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).