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

C12H15N3O4 — CID 136959134

IUPAC4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N3O4/c16-10-5-9(13-11(14-10)7-1-2-7)15-3-4-19-6-8(15)12(17)18/h5,7-8H,1-4,6H2,(H,17,18)(H,13,14,16)
InChIKeyXDTBWWDSFWXRBZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.06
Rot. Bonds3

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

4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (PubChem CID 136959134) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
PubChem CID136959134
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N3O4/c16-10-5-9(13-11(14-10)7-1-2-7)15-3-4-19-6-8(15)12(17)18/h5,7-8H,1-4,6H2,(H,17,18)(H,13,14,16)
InChIKeyXDTBWWDSFWXRBZ-UHFFFAOYSA-N
XLogP-0.06
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (CID 136959134) is 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The InChIKey is XDTBWWDSFWXRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-5-9(13-11(14-10)7-1-2-7)15-3-4-19-6-8(15)12(17)18/h5,7-8H,1-4,6H2,(H,17,18)(H,13,14,16).
What are the key properties of 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 136959134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).