4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid

C11H14N4O4 — CID 114214594

IUPAC4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid
SMILESCNC(=O)C1COCCN1c1ncncc1C(=O)O
InChIInChI=1S/C11H14N4O4/c1-12-10(16)8-5-19-3-2-15(8)9-7(11(17)18)4-13-6-14-9/h4,6,8H,2-3,5H2,1H3,(H,12,16)(H,17,18)
InChIKeyXWZAKZJDAKATNY-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.87
Rot. Bonds3

About 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid

4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid (PubChem CID 114214594) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid
PubChem CID114214594
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid
SMILESCNC(=O)C1COCCN1c1ncncc1C(=O)O
InChIInChI=1S/C11H14N4O4/c1-12-10(16)8-5-19-3-2-15(8)9-7(11(17)18)4-13-6-14-9/h4,6,8H,2-3,5H2,1H3,(H,12,16)(H,17,18)
InChIKeyXWZAKZJDAKATNY-UHFFFAOYSA-N
XLogP-0.87
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103916
4-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83104519
4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83104376
4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672
N-methyl-4-[6-(methylamino)-5-propylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105245
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83105081
N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535677
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83099052
2-amino-4-fluoro-5-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83105182
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid (CID 114214594) is 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid is CNC(=O)C1COCCN1c1ncncc1C(=O)O.
What is the InChIKey of 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid?
The InChIKey is XWZAKZJDAKATNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-12-10(16)8-5-19-3-2-15(8)9-7(11(17)18)4-13-6-14-9/h4,6,8H,2-3,5H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid?
4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).