2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid

C16H19N3O2 — CID 79219022

IUPAC2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2cc(C)ccn2)nc(CC)c1CC(=O)O
InChIInChI=1S/C16H19N3O2/c1-4-12-11(9-15(20)21)13(5-2)19-16(18-12)14-8-10(3)6-7-17-14/h6-8H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyZZEUCPREXYEHHZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.60
Rot. Bonds5

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

2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid (PubChem CID 79219022) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid
PubChem CID79219022
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid
SMILESCCc1nc(-c2cc(C)ccn2)nc(CC)c1CC(=O)O
InChIInChI=1S/C16H19N3O2/c1-4-12-11(9-15(20)21)13(5-2)19-16(18-12)14-8-10(3)6-7-17-14/h6-8H,4-5,9H2,1-3H3,(H,20,21)
InChIKeyZZEUCPREXYEHHZ-UHFFFAOYSA-N
XLogP2.60
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid (CID 79219022) is 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid is CCc1nc(-c2cc(C)ccn2)nc(CC)c1CC(=O)O.
What is the InChIKey of 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid?
The InChIKey is ZZEUCPREXYEHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-12-11(9-15(20)21)13(5-2)19-16(18-12)14-8-10(3)6-7-17-14/h6-8H,4-5,9H2,1-3H3,(H,20,21).
What are the key properties of 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid?
2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid has a molecular weight of 285.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-diethyl-2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 79219022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).