4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine

C22H31N5O2Si — CID 58913544

IUPAC4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2-c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C22H31N5O2Si/c1-15-13-19(25-22(23)24-15)21-20(17-7-9-18(28-3)10-8-17)16(2)26-27(21)14-29-11-12-30(4,5)6/h7-10,13H,11-12,14H2,1-6H3,(H2,23,24,25)
InChIKeyABXCZJOEPBJMKX-UHFFFAOYSA-N
MW425.61 g/mol
LogP4.53
Rot. Bonds8

About 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine

4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine (PubChem CID 58913544) has the molecular formula C22H31N5O2Si and a molecular weight of 425.61 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine
PubChem CID58913544
Molecular FormulaC22H31N5O2Si
Molecular Weight425.61 g/mol
Exact Mass425.22
IUPAC Name4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2-c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C22H31N5O2Si/c1-15-13-19(25-22(23)24-15)21-20(17-7-9-18(28-3)10-8-17)16(2)26-27(21)14-29-11-12-30(4,5)6/h7-10,13H,11-12,14H2,1-6H3,(H2,23,24,25)
InChIKeyABXCZJOEPBJMKX-UHFFFAOYSA-N
XLogP4.53
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine (CID 58913544) is 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine is COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2-c2cc(C)nc(N)n2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine?
The InChIKey is ABXCZJOEPBJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2Si/c1-15-13-19(25-22(23)24-15)21-20(17-7-9-18(28-3)10-8-17)16(2)26-27(21)14-29-11-12-30(4,5)6/h7-10,13H,11-12,14H2,1-6H3,(H2,23,24,25).
What are the key properties of 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine?
4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine has a molecular weight of 425.61 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 58913544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).