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

C11H17N3O3 — CID 13014893

IUPAC1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1c(CN2CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-12-9(7-10(15)13(2)11(12)16)8-14-3-5-17-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyVIYLWCSFLYTTTB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.08
Rot. Bonds2

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

1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 13014893) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID13014893
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1c(CN2CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-12-9(7-10(15)13(2)11(12)16)8-14-3-5-17-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyVIYLWCSFLYTTTB-UHFFFAOYSA-N
XLogP-1.08
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione (CID 13014893) is 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione is Cn1c(CN2CCOCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is VIYLWCSFLYTTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-12-9(7-10(15)13(2)11(12)16)8-14-3-5-17-6-4-14/h7H,3-6,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione?
1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(morpholin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 13014893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).