2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid

C11H16N4O3 — CID 43521693

IUPAC2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
SMILESCOc1ccnc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C11H16N4O3/c1-18-9-2-3-12-11(13-9)15-6-4-14(5-7-15)8-10(16)17/h2-3H,4-8H2,1H3,(H,16,17)
InChIKeyGEEXSTDCSVALHS-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.31
Rot. Bonds4

About 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid (PubChem CID 43521693) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
PubChem CID43521693
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
SMILESCOc1ccnc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C11H16N4O3/c1-18-9-2-3-12-11(13-9)15-6-4-14(5-7-15)8-10(16)17/h2-3H,4-8H2,1H3,(H,16,17)
InChIKeyGEEXSTDCSVALHS-UHFFFAOYSA-N
XLogP-0.31
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 94447840
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47528353
N-(2-cyanoethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47073306
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylic acid
CID 138003725
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
(1R)-1-(4-methoxyphenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanol
CID 95049270
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid (CID 43521693) is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid is COc1ccnc(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid?
The InChIKey is GEEXSTDCSVALHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-18-9-2-3-12-11(13-9)15-6-4-14(5-7-15)8-10(16)17/h2-3H,4-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid?
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).