2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid

C11H15N3O4 — CID 136959218

IUPAC2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
SMILESCc1nc(N2CCOC(CC(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-7-12-9(5-10(15)13-7)14-2-3-18-8(6-14)4-11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyKFGLZTHZAXHTFD-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.24
Rot. Bonds3

About 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid

2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid (PubChem CID 136959218) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
PubChem CID136959218
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
SMILESCc1nc(N2CCOC(CC(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-7-12-9(5-10(15)13-7)14-2-3-18-8(6-14)4-11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyKFGLZTHZAXHTFD-UHFFFAOYSA-N
XLogP-0.24
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-Methylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 136378672
[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 136378676
3-methoxy-4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845288
3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845289
3-methoxy-4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845292
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxypropanoic acid
CID 136958933
3-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxypropanoic acid
CID 136958935
4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959135
4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959137
2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959215
2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959216
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 136959217

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid (CID 136959218) is 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid is Cc1nc(N2CCOC(CC(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
The InChIKey is KFGLZTHZAXHTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-12-9(5-10(15)13-7)14-2-3-18-8(6-14)4-11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid?
2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 136959218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).