4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid

C12H18N4O2 — CID 56862430

IUPAC4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid
SMILESCCc1nc(N2CCNC(C(=O)O)C2)ncc1C
InChIInChI=1S/C12H18N4O2/c1-3-9-8(2)6-14-12(15-9)16-5-4-13-10(7-16)11(17)18/h6,10,13H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyHGVCJRNXTZRHDY-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.21
Rot. Bonds3

About 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid

4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid (PubChem CID 56862430) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid
PubChem CID56862430
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid
SMILESCCc1nc(N2CCNC(C(=O)O)C2)ncc1C
InChIInChI=1S/C12H18N4O2/c1-3-9-8(2)6-14-12(15-9)16-5-4-13-10(7-16)11(17)18/h6,10,13H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyHGVCJRNXTZRHDY-UHFFFAOYSA-N
XLogP0.21
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid (CID 56862430) is 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid is CCc1nc(N2CCNC(C(=O)O)C2)ncc1C.
What is the InChIKey of 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid?
The InChIKey is HGVCJRNXTZRHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-9-8(2)6-14-12(15-9)16-5-4-13-10(7-16)11(17)18/h6,10,13H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid?
4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-methylpyrimidin-2-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 56862430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).