4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid

C10H13N3O4 — CID 136959135

IUPAC4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESCc1nc(N2CCOCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c1-6-11-8(4-9(14)12-6)13-2-3-17-5-7(13)10(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyTUTQVJPQJDOMHH-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.63
Rot. Bonds2

About 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid

4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (PubChem CID 136959135) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
PubChem CID136959135
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESCc1nc(N2CCOCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c1-6-11-8(4-9(14)12-6)13-2-3-17-5-7(13)10(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyTUTQVJPQJDOMHH-UHFFFAOYSA-N
XLogP-0.63
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (CID 136959135) is 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is Cc1nc(N2CCOCC2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The InChIKey is TUTQVJPQJDOMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-11-8(4-9(14)12-6)13-2-3-17-5-7(13)10(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 136959135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).