2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one

C12H17N3O3 — CID 135896951

IUPAC2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-8-10(12(17)14-9(2)13-8)7-11(16)15-3-5-18-6-4-15/h3-7H2,1-2H3,(H,13,14,17)
InChIKeyGEOATQGUOBPCEJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.21
Rot. Bonds2

About 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one

2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one (PubChem CID 135896951) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
PubChem CID135896951
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-8-10(12(17)14-9(2)13-8)7-11(16)15-3-5-18-6-4-15/h3-7H2,1-2H3,(H,13,14,17)
InChIKeyGEOATQGUOBPCEJ-UHFFFAOYSA-N
XLogP-0.21
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-6-methyl-2-morpholinopyrimidin-4-ol
CID 135402562
ethyl 4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 135896960
2,4-dimethyl-5-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136124579
2,6-dimethyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136147249
5-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136266229
5-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 137295740
2-ethyl-5-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 136849634
2-ethyl-6-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidin-4(3H)-one
CID 136015656
2,4-dimethyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858381
2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136858382
2-ethyl-4-methyl-5-[2-oxo-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136883852
2-ethyl-4-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 136883853

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one (CID 135896951) is 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The InChIKey is GEOATQGUOBPCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-10(12(17)14-9(2)13-8)7-11(16)15-3-5-18-6-4-15/h3-7H2,1-2H3,(H,13,14,17).
What are the key properties of 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135896951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).