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

C12H17N3O3 — CID 60675896

IUPAC4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-8-10(9(2)14-12(17)13-8)7-11(16)15-3-5-18-6-4-15/h3-7H2,1-2H3,(H,13,14,17)
InChIKeyLLUVCXIXFPQDGS-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.21
Rot. Bonds2

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

4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one (PubChem CID 60675896) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one
PubChem CID60675896
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-8-10(9(2)14-12(17)13-8)7-11(16)15-3-5-18-6-4-15/h3-7H2,1-2H3,(H,13,14,17)
InChIKeyLLUVCXIXFPQDGS-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

4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one
CID 60692369
4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-2-one
CID 60692290
1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-1,4-diazepan-5-one
CID 63002985
5-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 106837071
5-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 114680293
5-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 102958620
(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137558
5-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 9406447
5-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 102784992
ethyl 2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetate
CID 7063845
5-[2-[2-(hydroxymethyl)azepan-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 116635867
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-morpholin-4-ylethanone
CID 110773449

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one (CID 60675896) is 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCOCC1.
What is the InChIKey of 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one?
The InChIKey is LLUVCXIXFPQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-10(9(2)14-12(17)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 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one?
4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-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 4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 60675896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).