5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine

C57H75BBrN15O7Si2 — CID 158558742

IUPAC5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2c(-c3cnc(N)nc3)n[nH]c2C)cc1.COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2-c2cnc(N)nc2)cc1.COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2B(O)O)cc1.Nc1ncc(Br)cn1
InChIInChI=1S/C21H29N5O2Si.C17H27BN2O4Si.C15H15N5O.C4H4BrN3/c1-15-19(16-6-8-18(27-2)9-7-16)20(17-12-23-21(22)24-13-17)26(25-15)14-28-10-11-29(3,4)5;1-13-16(14-6-8-15(23-2)9-7-14)17(18(21)22)20(19-13)12-24-10-11-25(3,4)5;1-9-13(10-3-5-12(21-2)6-4-10)14(20-19-9)11-7-17-15(16)18-8-11;5-3-1-7-4(6)8-2-3/h6-9,12-13H,10-11,14H2,1-5H3,(H2,22,23,24);6-9,21-22H,10-12H2,1-5H3;3-8H,1-2H3,(H,19,20)(H2,16,17,18);1-2H,(H2,6,7,8)
InChIKeyHQPRAWSGCSOGEZ-UHFFFAOYSA-N
MW1229.21 g/mol
LogP9.33
Rot. Bonds19

About 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine

5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine (PubChem CID 158558742) has the molecular formula C57H75BBrN15O7Si2 and a molecular weight of 1229.21 g/mol. Its IUPAC name is 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine
PubChem CID158558742
Molecular FormulaC57H75BBrN15O7Si2
Molecular Weight1229.21 g/mol
Exact Mass1227.48
IUPAC Name5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2c(-c3cnc(N)nc3)n[nH]c2C)cc1.COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2-c2cnc(N)nc2)cc1.COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2B(O)O)cc1.Nc1ncc(Br)cn1
InChIInChI=1S/C21H29N5O2Si.C17H27BN2O4Si.C15H15N5O.C4H4BrN3/c1-15-19(16-6-8-18(27-2)9-7-16)20(17-12-23-21(22)24-13-17)26(25-15)14-28-10-11-29(3,4)5;1-13-16(14-6-8-15(23-2)9-7-14)17(18(21)22)20(19-13)12-24-10-11-25(3,4)5;1-9-13(10-3-5-12(21-2)6-4-10)14(20-19-9)11-7-17-15(16)18-8-11;5-3-1-7-4(6)8-2-3/h6-9,12-13H,10-11,14H2,1-5H3,(H2,22,23,24);6-9,21-22H,10-12H2,1-5H3;3-8H,1-2H3,(H,19,20)(H2,16,17,18);1-2H,(H2,6,7,8)
InChIKeyHQPRAWSGCSOGEZ-UHFFFAOYSA-N
XLogP9.33
TPSA306.33 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001229.21
LogP ≤ 59.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine;4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine
CID 70037206
1-[4-[4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-6-methylpyrimidin-2-yl]-2-[4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-yl]hydrazine
CID 136420659
4-chloro-6-methylpyrimidin-2-amine;4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-6-methylpyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;4-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine
CID 157677028
7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 159001464
(3-aminophenyl)boronic acid;2-[(3-bromo-4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;3-(4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-3-yl)aniline;3-[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]aniline
CID 159691015
2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;3-(2-methoxyphenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 160412212

Frequently Asked Questions

What is the IUPAC name of 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine (CID 158558742) is 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine is COc1ccc(-c2c(-c3cnc(N)nc3)n[nH]c2C)cc1.COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2-c2cnc(N)nc2)cc1.COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2B(O)O)cc1.Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine?
The InChIKey is HQPRAWSGCSOGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2Si.C17H27BN2O4Si.C15H15N5O.C4H4BrN3/c1-15-19(16-6-8-18(27-2)9-7-16)20(17-12-23-21(22)24-13-17)26(25-15)14-28-10-11-29(3,4)5;1-13-16(14-6-8-15(23-2)9-7-14)17(18(21)22)20(19-13)12-24-10-11-25(3,4)5;1-9-13(10-3-5-12(21-2)6-4-10)14(20-19-9)11-7-17-15(16)18-8-11;5-3-1-7-4(6)8-2-3/h6-9,12-13H,10-11,14H2,1-5H3,(H2,22,23,24);6-9,21-22H,10-12H2,1-5H3;3-8H,1-2H3,(H,19,20)(H2,16,17,18);1-2H,(H2,6,7,8).
What are the key properties of 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine?
5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine has a molecular weight of 1229.21 g/mol, XLogP of 9.33, 19 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrimidin-2-amine;5-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrimidin-2-amine;[4-(4-methoxyphenyl)-5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid;5-[4-(4-methoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 158558742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).