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

C12H17N3O3 — CID 7748970

IUPAC2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCOCC2)c(C)n1
InChIInChI=1S/C12H17N3O3/c1-9-7-11(16)15(10(2)13-9)8-12(17)14-3-5-18-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyDSOAEPIBXFAQNP-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.28
Rot. Bonds2

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

2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (PubChem CID 7748970) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
PubChem CID7748970
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCOCC2)c(C)n1
InChIInChI=1S/C12H17N3O3/c1-9-7-11(16)15(10(2)13-9)8-12(17)14-3-5-18-6-4-14/h7H,3-6,8H2,1-2H3
InChIKeyDSOAEPIBXFAQNP-UHFFFAOYSA-N
XLogP-0.28
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methyl-2-(morpholinomethyl)-4-pyrimidinol
CID 135408235
2-Methyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135452238
2-(Morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 18087299
(5z)-2,3-Dimethyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700620
(5z)-2-Ethyl-3-methyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700627
Ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81297776
2-Isopropyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135486292
Ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 53814412
N,N-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90871963
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 91135937
2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
CID 140511865
1-Methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 141087183

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (CID 7748970) is 2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCOCC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The InChIKey is DSOAEPIBXFAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-7-11(16)15(10(2)13-9)8-12(17)14-3-5-18-6-4-14/h7H,3-6,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
2,6-dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one has a molecular weight of 251.29 g/mol, XLogP of -0.28, 2 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-yl-2-oxoethyl)pyrimidin-4-one is sourced from PubChem (CID 7748970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).