1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione

C12H17N3O4 — CID 165036500

IUPAC1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CC(=O)N2CCOCC2)c(=O)n1C
InChIInChI=1S/C12H17N3O4/c1-9-7-10(16)15(12(18)13(9)2)8-11(17)14-3-5-19-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyRIRUASOHRMIXKO-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.29
Rot. Bonds2

About 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione

1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione (PubChem CID 165036500) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione
PubChem CID165036500
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CC(=O)N2CCOCC2)c(=O)n1C
InChIInChI=1S/C12H17N3O4/c1-9-7-10(16)15(12(18)13(9)2)8-11(17)14-3-5-19-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyRIRUASOHRMIXKO-UHFFFAOYSA-N
XLogP-1.29
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione (CID 165036500) is 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione is Cc1cc(=O)n(CC(=O)N2CCOCC2)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione?
The InChIKey is RIRUASOHRMIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-9-7-10(16)15(12(18)13(9)2)8-11(17)14-3-5-19-6-4-14/h7H,3-6,8H2,1-2H3.
What are the key properties of 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione?
1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 165036500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).