5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione

C11H16BrN3O3 — CID 13014907

IUPAC5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1c(CN2CCOCC2)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C11H16BrN3O3/c1-13-8(7-15-3-5-18-6-4-15)9(12)10(16)14(2)11(13)17/h3-7H2,1-2H3
InChIKeyKEAAOUVFSUTINT-UHFFFAOYSA-N
MW318.17 g/mol
LogP-0.32
Rot. Bonds2

About 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione

5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 13014907) has the molecular formula C11H16BrN3O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID13014907
Molecular FormulaC11H16BrN3O3
Molecular Weight318.17 g/mol
Exact Mass317.04
IUPAC Name5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1c(CN2CCOCC2)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C11H16BrN3O3/c1-13-8(7-15-3-5-18-6-4-15)9(12)10(16)14(2)11(13)17/h3-7H2,1-2H3
InChIKeyKEAAOUVFSUTINT-UHFFFAOYSA-N
XLogP-0.32
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 13014893
1,3-Dimethyl-6-[(3-methylmorpholin-4-yl)methyl]pyrimidine-2,4-dione
CID 45813887
3-bromo-1-methyl-4-morpholino-1H-pyrrole-2,5-dione
CID 59354746
5-Bromo-1-methyl-3-(2-morpholin-4-ylethyl)pyrimidine-2,4-dione
CID 89782854
5-Bromo-1-methyl-3-(2-morpholin-4-ylethyl)-2,6-dioxopyrimidine-4-carbaldehyde
CID 10315587
2-(5-Bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 15025800
5-Bromo-1-(2-bromoethyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 15152666
5-Bromo-1-(2-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 15152668
5-Bromo-1-(3-bromopropyl)-3-methyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 15152669
5-bromo-1,3-dimethyl-6-(4-morpholinylcarbonyl)-2,4(1H,3H)-pyrimidinedione
CID 38112476
5-bromo-1,3-dimethyl-6-((4-methylpiperazin-1-yl)methyl)pyrimidine-2,4(1H,3H)-dione
CID 45494265
1,3-dimethyl-6-[[(3R)-3-methylmorpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 93612994

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione (CID 13014907) is 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione is Cn1c(CN2CCOCC2)c(Br)c(=O)n(C)c1=O.
What is the InChIKey of 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is KEAAOUVFSUTINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3/c1-13-8(7-15-3-5-18-6-4-15)9(12)10(16)14(2)11(13)17/h3-7H2,1-2H3.
What are the key properties of 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 318.17 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 13014907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).