2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid

C14H22N4O2 — CID 56768598

IUPAC2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESCCc1nc(C)c(C)c(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-4-12-15-11(3)10(2)14(16-12)18-7-5-17(6-8-18)9-13(19)20/h4-9H2,1-3H3,(H,19,20)
InChIKeyMSXYKSJWGFTNEE-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.86
Rot. Bonds4

About 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid

2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid (PubChem CID 56768598) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid
PubChem CID56768598
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid
SMILESCCc1nc(C)c(C)c(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C14H22N4O2/c1-4-12-15-11(3)10(2)14(16-12)18-7-5-17(6-8-18)9-13(19)20/h4-9H2,1-3H3,(H,19,20)
InChIKeyMSXYKSJWGFTNEE-UHFFFAOYSA-N
XLogP0.86
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid (CID 56768598) is 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid is CCc1nc(C)c(C)c(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
The InChIKey is MSXYKSJWGFTNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-12-15-11(3)10(2)14(16-12)18-7-5-17(6-8-18)9-13(19)20/h4-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid?
2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid has a molecular weight of 278.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 56768598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).