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

C38H48N10O3Si — CID 70037206

IUPAC4-[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
SMILESCOc1ccc(-c2c(-c3cc(C)nc(N)n3)n[nH]c2C)cc1.COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2-c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C22H31N5O2Si.C16H17N5O/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;1-9-8-13(19-16(17)18-9)15-14(10(2)20-21-15)11-4-6-12(22-3)7-5-11/h7-10,13H,11-12,14H2,1-6H3,(H2,23,24,25);4-8H,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyLPMUREDLVBASIC-UHFFFAOYSA-N
MW720.96 g/mol
LogP7.27
Rot. Bonds11

About 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

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 (PubChem CID 70037206) has the molecular formula C38H48N10O3Si and a molecular weight of 720.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID70037206
Molecular FormulaC38H48N10O3Si
Molecular Weight720.96 g/mol
Exact Mass720.37
IUPAC Name4-[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
SMILESCOc1ccc(-c2c(-c3cc(C)nc(N)n3)n[nH]c2C)cc1.COc1ccc(-c2c(C)nn(COCC[Si](C)(C)C)c2-c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C22H31N5O2Si.C16H17N5O/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;1-9-8-13(19-16(17)18-9)15-14(10(2)20-21-15)11-4-6-12(22-3)7-5-11/h7-10,13H,11-12,14H2,1-6H3,(H2,23,24,25);4-8H,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyLPMUREDLVBASIC-UHFFFAOYSA-N
XLogP7.27
TPSA177.79 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 57.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-[2-methoxy-6-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]pyrimidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]-1-[2-methoxy-6-[3-(1H-tetrazol-5-yl)phenyl]pyrimidin-4-yl]hydrazine
CID 136657374
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine
CID 49839688
5-[4-(4-Methoxy-phenyl)-5-methyl-2-(2-trimethylsilanyl-ethoxymethyl)-2H-pyrazol-3-yl]-pyrimidin-2-ylamine
CID 58913495
4-[4-(4-Methoxy-phenyl)-5-methyl-2-(2-trimethylsilanyl-ethoxymethyl)-2H-pyrazol-3-yl]-6-methyl-pyrimidin-2-ylamine
CID 58913544
4-[4-(4-methoxy-phenyl)-5-methyl-2H-pyrazol-3-yl]-6-methyl-pyrimidin-2-ylamine
CID 58913567
4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 68568098
4-[4-(4-Ethoxyphenyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-methylpyrimidin-2-amine
CID 69854131
4-[5-ethyl-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]pyrimidine
CID 129257845
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
7-methoxy-6-(4-methoxyphenyl)-N-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-phenyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 140853459
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 140853465
7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 140853503

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2c(-c3cc(C)nc(N)n3)n[nH]c2C)cc1.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)-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?
The InChIKey is LPMUREDLVBASIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2Si.C16H17N5O/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;1-9-8-13(19-16(17)18-9)15-14(10(2)20-21-15)11-4-6-12(22-3)7-5-11/h7-10,13H,11-12,14H2,1-6H3,(H2,23,24,25);4-8H,1-3H3,(H,20,21)(H2,17,18,19).
What are the key properties of 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?
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 has a molecular weight of 720.96 g/mol, XLogP of 7.27, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70037206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).