2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid

C11H15N3O4 — CID 10923044

IUPAC2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C11H15N3O4/c1-8-6-9(15)14(7-10(16)17)11(12-8)13-2-4-18-5-3-13/h6H,2-5,7H2,1H3,(H,16,17)
InChIKeyXSXIOILRVNTEBT-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.53
Rot. Bonds3

About 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid

2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 10923044) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID10923044
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C11H15N3O4/c1-8-6-9(15)14(7-10(16)17)11(12-8)13-2-4-18-5-3-13/h6H,2-5,7H2,1H3,(H,16,17)
InChIKeyXSXIOILRVNTEBT-UHFFFAOYSA-N
XLogP-0.53
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetic acid
CID 10933959
2-(2-morpholin-4-ylbenzimidazol-1-yl)acetic acid
CID 46784645
2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91903937
2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 7748620
N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 50926672
3-butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201010
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53201857
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
ethyl 4-[[2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 91903965
N-[(3-methoxyphenyl)methyl]-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]acetamide
CID 71802647
6-methyl-2-piperidin-1-yl-3-prop-2-enylpyrimidin-4-one
CID 30322936
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201691

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid (CID 10923044) is 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid is Cc1cc(=O)n(CC(=O)O)c(N2CCOCC2)n1.
What is the InChIKey of 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is XSXIOILRVNTEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8-6-9(15)14(7-10(16)17)11(12-8)13-2-4-18-5-3-13/h6H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid?
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 10923044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).