2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid

C10H14N4O4 — CID 136959326

IUPAC2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid
SMILESNc1c(N2CCOCC2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H14N4O4/c11-8-9(12-5-13-10(8)17)14-1-2-18-4-6(14)3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyTZPCYBSWTXQCDG-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.97
Rot. Bonds3

About 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid

2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid (PubChem CID 136959326) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid
PubChem CID136959326
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid
SMILESNc1c(N2CCOCC2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H14N4O4/c11-8-9(12-5-13-10(8)17)14-1-2-18-4-6(14)3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17)
InChIKeyTZPCYBSWTXQCDG-UHFFFAOYSA-N
XLogP-0.97
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid (CID 136959326) is 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid is Nc1c(N2CCOCC2CC(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid?
The InChIKey is TZPCYBSWTXQCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-8-9(12-5-13-10(8)17)14-1-2-18-4-6(14)3-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,12,13,17).
What are the key properties of 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid?
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 136959326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).