1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione

C11H15N3O4 — CID 84556889

IUPAC1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O4/c1-12-7-8(9(15)13(2)11(12)17)10(16)14-3-5-18-6-4-14/h7H,3-6H2,1-2H3
InChIKeyTWGOBMYGZPDLSV-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.44
Rot. Bonds1

About 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione

1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione (PubChem CID 84556889) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione
PubChem CID84556889
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O4/c1-12-7-8(9(15)13(2)11(12)17)10(16)14-3-5-18-6-4-14/h7H,3-6H2,1-2H3
InChIKeyTWGOBMYGZPDLSV-UHFFFAOYSA-N
XLogP-1.44
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
N-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-N-methylacetamide
CID 319882
5-(Morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 21177786
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 95219842
5-[(3-propylmorpholin-4-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 56711352
3-methyl-N-morpholino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778356
1,3-Dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CID 15314951
5-(morpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 12848804
1-Butyl-3-(2-methoxyethyl)-5-methylidene-1,3-diazinane-2,4,6-trione
CID 57823670
1-(2-Methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 142894564
3-(2-Methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 162426021

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione (CID 84556889) is 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione is Cn1cc(C(=O)N2CCOCC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione?
The InChIKey is TWGOBMYGZPDLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-12-7-8(9(15)13(2)11(12)17)10(16)14-3-5-18-6-4-14/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione is sourced from PubChem (CID 84556889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).