2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid

C12H14N4O2 — CID 65197923

IUPAC2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(-c2ccn(C)n2)nc(C)c1CC(=O)O
InChIInChI=1S/C12H14N4O2/c1-7-9(6-11(17)18)8(2)14-12(13-7)10-4-5-16(3)15-10/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyLELYISUXXXVXMJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.12
Rot. Bonds3

About 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid (PubChem CID 65197923) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid
PubChem CID65197923
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(-c2ccn(C)n2)nc(C)c1CC(=O)O
InChIInChI=1S/C12H14N4O2/c1-7-9(6-11(17)18)8(2)14-12(13-7)10-4-5-16(3)15-10/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyLELYISUXXXVXMJ-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid (CID 65197923) is 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid is Cc1nc(-c2ccn(C)n2)nc(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid?
The InChIKey is LELYISUXXXVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-9(6-11(17)18)8(2)14-12(13-7)10-4-5-16(3)15-10/h4-5H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 65197923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).