2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid

C10H11FN4O3 — CID 104605926

IUPAC2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1c1ncc(F)cn1
InChIInChI=1S/C10H11FN4O3/c11-6-4-13-10(14-5-6)15-2-1-12-9(18)7(15)3-8(16)17/h4-5,7H,1-3H2,(H,12,18)(H,16,17)
InChIKeyZTHWVKXPWVYRDK-UHFFFAOYSA-N
MW254.22 g/mol
LogP-0.60
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 104605926) has the molecular formula C10H11FN4O3 and a molecular weight of 254.22 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID104605926
Molecular FormulaC10H11FN4O3
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1c1ncc(F)cn1
InChIInChI=1S/C10H11FN4O3/c11-6-4-13-10(14-5-6)15-2-1-12-9(18)7(15)3-8(16)17/h4-5,7H,1-3H2,(H,12,18)(H,16,17)
InChIKeyZTHWVKXPWVYRDK-UHFFFAOYSA-N
XLogP-0.60
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 65418820
2-[3-oxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-2-yl]acetic acid
CID 114449382
2-[1-(2-cyano-3-fluorophenyl)-3-oxopiperazin-2-yl]acetic acid
CID 79513830
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 136958964
2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid
CID 62032967
2-[1-(6-cyano-2-pyridinyl)-3-oxopiperazin-2-yl]acetic acid
CID 64588952
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
CID 103298814
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402
2-[4-(5-fluoropyrimidin-2-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 104605984
2-[1-(4-chloro-3-fluorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 106703194

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid (CID 104605926) is 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1c1ncc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is ZTHWVKXPWVYRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O3/c11-6-4-13-10(14-5-6)15-2-1-12-9(18)7(15)3-8(16)17/h4-5,7H,1-3H2,(H,12,18)(H,16,17).
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 254.22 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 104605926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).