2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one

C12H19N3O2 — CID 126857719

IUPAC2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCN2CCOCC2)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-10-9-12(16)15(11(2)13-10)4-3-14-5-7-17-8-6-14/h9H,3-8H2,1-2H3
InChIKeyGTFYDZMHWVDQDN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.19
Rot. Bonds3

About 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one

2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (PubChem CID 126857719) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
PubChem CID126857719
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCN2CCOCC2)c(C)n1
InChIInChI=1S/C12H19N3O2/c1-10-9-12(16)15(11(2)13-10)4-3-14-5-7-17-8-6-14/h9H,3-8H2,1-2H3
InChIKeyGTFYDZMHWVDQDN-UHFFFAOYSA-N
XLogP0.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (CID 126857719) is 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is Cc1cc(=O)n(CCN2CCOCC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The InChIKey is GTFYDZMHWVDQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10-9-12(16)15(11(2)13-10)4-3-14-5-7-17-8-6-14/h9H,3-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 126857719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).