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

C10H14N4O3 — CID 136958451

IUPAC2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H14N4O3/c15-9-5-8(11-7-12-9)14-3-1-13(2-4-14)6-10(16)17/h5,7H,1-4,6H2,(H,16,17)(H,11,12,15)
InChIKeyLCCPNMXFBLJCLK-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.02
Rot. Bonds3

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

2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid (PubChem CID 136958451) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
PubChem CID136958451
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H14N4O3/c15-9-5-8(11-7-12-9)14-3-1-13(2-4-14)6-10(16)17/h5,7H,1-4,6H2,(H,16,17)(H,11,12,15)
InChIKeyLCCPNMXFBLJCLK-UHFFFAOYSA-N
XLogP-1.02
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid (CID 136958451) is 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is LCCPNMXFBLJCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9-5-8(11-7-12-9)14-3-1-13(2-4-14)6-10(16)17/h5,7H,1-4,6H2,(H,16,17)(H,11,12,15).
What are the key properties of 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid?
2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 238.25 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 136958451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).