methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate

C12H14N4O2 — CID 61381024

IUPACmethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)nn(-c2ncccn2)c1C
InChIInChI=1S/C12H14N4O2/c1-8-10(7-11(17)18-3)9(2)16(15-8)12-13-5-4-6-14-12/h4-6H,7H2,1-3H3
InChIKeyFMIWTFGOFWOEHZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.99
Rot. Bonds3

About methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate

methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate (PubChem CID 61381024) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate
PubChem CID61381024
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(C)nn(-c2ncccn2)c1C
InChIInChI=1S/C12H14N4O2/c1-8-10(7-11(17)18-3)9(2)16(15-8)12-13-5-4-6-14-12/h4-6H,7H2,1-3H3
InChIKeyFMIWTFGOFWOEHZ-UHFFFAOYSA-N
XLogP0.99
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate (CID 61381024) is methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate is COC(=O)Cc1c(C)nn(-c2ncccn2)c1C.
What is the InChIKey of methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate?
The InChIKey is FMIWTFGOFWOEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-10(7-11(17)18-3)9(2)16(15-8)12-13-5-4-6-14-12/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate?
methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate has a molecular weight of 246.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)acetate is sourced from PubChem (CID 61381024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).