1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione

C11H17N3O3 — CID 22832142

IUPAC1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione
SMILESCc1c(N2CCOCC2)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-8-9(14-4-6-17-7-5-14)12(2)11(16)13(3)10(8)15/h4-7H2,1-3H3
InChIKeyBPBPTKDKEKDIKE-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.77
Rot. Bonds1

About 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione

1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione (PubChem CID 22832142) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione
PubChem CID22832142
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione
SMILESCc1c(N2CCOCC2)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O3/c1-8-9(14-4-6-17-7-5-14)12(2)11(16)13(3)10(8)15/h4-7H2,1-3H3
InChIKeyBPBPTKDKEKDIKE-UHFFFAOYSA-N
XLogP-0.77
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione?
The IUPAC name of 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione (CID 22832142) is 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione?
The canonical SMILES for 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione is Cc1c(N2CCOCC2)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione?
The InChIKey is BPBPTKDKEKDIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-9(14-4-6-17-7-5-14)12(2)11(16)13(3)10(8)15/h4-7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione?
1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione has a molecular weight of 239.27 g/mol, XLogP of -0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-morpholin-4-ylpyrimidine-2,4-dione is sourced from PubChem (CID 22832142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).