2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid

C11H16N4O4 — CID 136958454

IUPAC2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESCOc1c(N2CCN(CC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O4/c1-19-9-10(12-7-13-11(9)18)15-4-2-14(3-5-15)6-8(16)17/h7H,2-6H2,1H3,(H,16,17)(H,12,13,18)
InChIKeyPSZASNAVYQIMCP-UHFFFAOYSA-N
MW268.27 g/mol
LogP-1.01
Rot. Bonds4

About 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid

2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid (PubChem CID 136958454) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
PubChem CID136958454
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESCOc1c(N2CCN(CC(=O)O)CC2)nc[nH]c1=O
InChIInChI=1S/C11H16N4O4/c1-19-9-10(12-7-13-11(9)18)15-4-2-14(3-5-15)6-8(16)17/h7H,2-6H2,1H3,(H,16,17)(H,12,13,18)
InChIKeyPSZASNAVYQIMCP-UHFFFAOYSA-N
XLogP-1.01
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959232
2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713550
2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745653
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
CID 136870165
ethyl 4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
CID 136898504
4-(2,4-dimethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136948156
5-methoxy-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958151
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958338
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958448
3-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958460
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 136958505
2-[cyclopropyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958530

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid (CID 136958454) is 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid is COc1c(N2CCN(CC(=O)O)CC2)nc[nH]c1=O.
What is the InChIKey of 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is PSZASNAVYQIMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-19-9-10(12-7-13-11(9)18)15-4-2-14(3-5-15)6-8(16)17/h7H,2-6H2,1H3,(H,16,17)(H,12,13,18).
What are the key properties of 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 136958454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).