1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde

C11H15N3O4 — CID 15314951

IUPAC1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCn1c(N2CCOCC2)c(C=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O4/c1-12-9(14-3-5-18-6-4-14)8(7-15)10(16)13(2)11(12)17/h7H,3-6H2,1-2H3
InChIKeyDBRRBDVVUMXCLQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.27
Rot. Bonds2

About 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde

1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde (PubChem CID 15314951) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde
PubChem CID15314951
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde
SMILESCn1c(N2CCOCC2)c(C=O)c(=O)n(C)c1=O
InChIInChI=1S/C11H15N3O4/c1-12-9(14-3-5-18-6-4-14)8(7-15)10(16)13(2)11(12)17/h7H,3-6H2,1-2H3
InChIKeyDBRRBDVVUMXCLQ-UHFFFAOYSA-N
XLogP-1.27
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-((2-Methoxyethyl)amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CID 28468159
5-Methyl-6-(morpholin-4-yl)pyrimidine-2,4(1H,3H)-dione
CID 22832124
1,3-Dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione
CID 84556889
4-Chloro-1,3-bis(2-methoxyethyl)-2,6-dioxopyrimidine-5-carbaldehyde
CID 82070696
6-Amino-1,3-dimethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 1970048
1,3-Dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2786012
1,3-Dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 17511601
1,3,5-Trimethyl-6-morpholino-uracil
CID 22832142
6-Amino-1-methyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 39100550
6-Amino-1-ethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 39100640
6-Amino-5-(morpholin-4-ylmethyl)-1-propylpyrimidine-2,4-dione
CID 39100688
6-Amino-1-(2-methoxyethyl)-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 39100972

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde?
The IUPAC name of 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde (CID 15314951) is 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde is Cn1c(N2CCOCC2)c(C=O)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde?
The InChIKey is DBRRBDVVUMXCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-12-9(14-3-5-18-6-4-14)8(7-15)10(16)13(2)11(12)17/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde?
1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde has a molecular weight of 253.26 g/mol, XLogP of -1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 15314951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).