6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H21N3O3 — CID 51077641

IUPAC6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CN(Cc2cc(=O)n(C)c(=O)n2C)C(C)CO1
InChIInChI=1S/C13H21N3O3/c1-9-8-19-10(2)6-16(9)7-11-5-12(17)15(4)13(18)14(11)3/h5,9-10H,6-8H2,1-4H3
InChIKeyCBWSVGPMAFRUOM-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.31
Rot. Bonds2

About 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 51077641) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID51077641
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CN(Cc2cc(=O)n(C)c(=O)n2C)C(C)CO1
InChIInChI=1S/C13H21N3O3/c1-9-8-19-10(2)6-16(9)7-11-5-12(17)15(4)13(18)14(11)3/h5,9-10H,6-8H2,1-4H3
InChIKeyCBWSVGPMAFRUOM-UHFFFAOYSA-N
XLogP-0.31
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 51077641) is 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione is CC1CN(Cc2cc(=O)n(C)c(=O)n2C)C(C)CO1.
What is the InChIKey of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CBWSVGPMAFRUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-8-19-10(2)6-16(9)7-11-5-12(17)15(4)13(18)14(11)3/h5,9-10H,6-8H2,1-4H3.
What are the key properties of 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 51077641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).