2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid

C15H17N3O2 — CID 82740850

IUPAC2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCCc1cccnc1-c1nc(C)c(CC(=O)O)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-4-11-6-5-7-16-14(11)15-17-9(2)12(8-13(19)20)10(3)18-15/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyFNWSIZCJUPABEB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.34
Rot. Bonds4

About 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid

2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid (PubChem CID 82740850) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
PubChem CID82740850
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
SMILESCCc1cccnc1-c1nc(C)c(CC(=O)O)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-4-11-6-5-7-16-14(11)15-17-9(2)12(8-13(19)20)10(3)18-15/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyFNWSIZCJUPABEB-UHFFFAOYSA-N
XLogP2.34
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid (CID 82740850) is 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid is CCc1cccnc1-c1nc(C)c(CC(=O)O)c(C)n1.
What is the InChIKey of 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
The InChIKey is FNWSIZCJUPABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-11-6-5-7-16-14(11)15-17-9(2)12(8-13(19)20)10(3)18-15/h5-7H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid?
2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82740850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).