4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid

C12H15N3O6 — CID 119358036

IUPAC4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
SMILESCOc1ncnc(OC)c1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H15N3O6/c1-19-9-8(10(20-2)14-6-13-9)11(16)15-3-4-21-7(5-15)12(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyHILMOCLVNHWPLA-UHFFFAOYSA-N
MW297.27 g/mol
LogP-0.58
Rot. Bonds4

About 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid

4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119358036) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID119358036
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
SMILESCOc1ncnc(OC)c1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H15N3O6/c1-19-9-8(10(20-2)14-6-13-9)11(16)15-3-4-21-7(5-15)12(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyHILMOCLVNHWPLA-UHFFFAOYSA-N
XLogP-0.58
TPSA111.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(4,6-dimethoxypyrimidin-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 119577834
(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid
CID 125151943
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 125118699
4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 126794365
4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
CID 119238801
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
CID 119239104

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid (CID 119358036) is 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid is COc1ncnc(OC)c1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is HILMOCLVNHWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-19-9-8(10(20-2)14-6-13-9)11(16)15-3-4-21-7(5-15)12(17)18/h6-7H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid?
4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119358036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).