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

C10H13N3O4 — CID 135905420

IUPAC2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c14-9-6-8(13-1-3-17-4-2-13)11-7(12-9)5-10(15)16/h6H,1-5H2,(H,15,16)(H,11,12,14)
InChIKeyKLCWILCHDGOMES-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.77
Rot. Bonds3

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

2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid (PubChem CID 135905420) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid
PubChem CID135905420
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c14-9-6-8(13-1-3-17-4-2-13)11-7(12-9)5-10(15)16/h6H,1-5H2,(H,15,16)(H,11,12,14)
InChIKeyKLCWILCHDGOMES-UHFFFAOYSA-N
XLogP-0.77
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid (CID 135905420) is 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid is O=C(O)Cc1nc(N2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The InChIKey is KLCWILCHDGOMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-9-6-8(13-1-3-17-4-2-13)11-7(12-9)5-10(15)16/h6H,1-5H2,(H,15,16)(H,11,12,14).
What are the key properties of 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid has a molecular weight of 239.23 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 135905420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).