2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid

C11H14N4O4 — CID 136958964

IUPAC2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCc1nc(N2CCNC(=O)C2CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H14N4O4/c1-6-13-8(5-9(16)14-6)15-3-2-12-11(19)7(15)4-10(17)18/h5,7H,2-4H2,1H3,(H,12,19)(H,17,18)(H,13,14,16)
InChIKeyVGRMLTUXBWSBHI-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.14
Rot. Bonds3

About 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 136958964) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID136958964
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCc1nc(N2CCNC(=O)C2CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H14N4O4/c1-6-13-8(5-9(16)14-6)15-3-2-12-11(19)7(15)4-10(17)18/h5,7H,2-4H2,1H3,(H,12,19)(H,17,18)(H,13,14,16)
InChIKeyVGRMLTUXBWSBHI-UHFFFAOYSA-N
XLogP-1.14
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 65418820
2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid
CID 64588952
2-[1-(4-cyano-3-methylphenyl)-3-oxopiperazin-2-yl]acetic acid
CID 81273949
2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 104605926
3-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 136958739
N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136989399
2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid
CID 114788579
2-[1-(2-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 82019151
2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 115596375
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
2-[1-(3-chloro-2-nitrophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 104835181
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 79595130

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid (CID 136958964) is 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid is Cc1nc(N2CCNC(=O)C2CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is VGRMLTUXBWSBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-6-13-8(5-9(16)14-6)15-3-2-12-11(19)7(15)4-10(17)18/h5,7H,2-4H2,1H3,(H,12,19)(H,17,18)(H,13,14,16).
What are the key properties of 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 266.26 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 136958964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).