methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate

C18H18N4O3 — CID 18975605

IUPACmethyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate
SMILESCOC(=O)Cc1c(C)nc(C)nc1Oc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O3/c1-12-15(11-17(23)24-3)18(20-13(2)19-12)25-16-9-10-22(21-16)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyZDRWBPSQWODPQO-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate

methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate (PubChem CID 18975605) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate
PubChem CID18975605
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Namemethyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate
SMILESCOC(=O)Cc1c(C)nc(C)nc1Oc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O3/c1-12-15(11-17(23)24-3)18(20-13(2)19-12)25-16-9-10-22(21-16)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyZDRWBPSQWODPQO-UHFFFAOYSA-N
XLogP2.79
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate?
The IUPAC name of methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate (CID 18975605) is methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate.
What is the SMILES notation for methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate?
The canonical SMILES for methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate is COC(=O)Cc1c(C)nc(C)nc1Oc1ccn(-c2ccccc2)n1.
What is the InChIKey of methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate?
The InChIKey is ZDRWBPSQWODPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-15(11-17(23)24-3)18(20-13(2)19-12)25-16-9-10-22(21-16)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate?
methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate has a molecular weight of 338.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,4-dimethyl-6-(1-phenylpyrazol-3-yl)oxypyrimidin-5-yl]acetate is sourced from PubChem (CID 18975605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).