2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid

C14H18N4O2 — CID 82901907

IUPAC2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2cncn2C)nc(CC)c1CC(=O)O
InChIInChI=1S/C14H18N4O2/c1-4-10-9(6-13(19)20)11(5-2)17-14(16-10)12-7-15-8-18(12)3/h7-8H,4-6H2,1-3H3,(H,19,20)
InChIKeyGEJLAVCFUPEPIG-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.63
Rot. Bonds5

About 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid

2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid (PubChem CID 82901907) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid
PubChem CID82901907
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2cncn2C)nc(CC)c1CC(=O)O
InChIInChI=1S/C14H18N4O2/c1-4-10-9(6-13(19)20)11(5-2)17-14(16-10)12-7-15-8-18(12)3/h7-8H,4-6H2,1-3H3,(H,19,20)
InChIKeyGEJLAVCFUPEPIG-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid (CID 82901907) is 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid is CCc1nc(-c2cncn2C)nc(CC)c1CC(=O)O.
What is the InChIKey of 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid?
The InChIKey is GEJLAVCFUPEPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-10-9(6-13(19)20)11(5-2)17-14(16-10)12-7-15-8-18(12)3/h7-8H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid?
2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82901907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).