5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine

C21H26N6O — CID 154008498

IUPAC5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1ccc(Oc2nc(Nc3cc(C)[nH]n3)c(C)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H26N6O/c1-14-7-9-17(10-8-14)28-21-23-19(22-18-13-15(2)25-26-18)16(3)20(24-21)27-11-5-4-6-12-27/h7-10,13H,4-6,11-12H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyIRKZOUIRHMLKJI-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.65
Rot. Bonds5

About 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine

5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 154008498) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID154008498
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1ccc(Oc2nc(Nc3cc(C)[nH]n3)c(C)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H26N6O/c1-14-7-9-17(10-8-14)28-21-23-19(22-18-13-15(2)25-26-18)16(3)20(24-21)27-11-5-4-6-12-27/h7-10,13H,4-6,11-12H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyIRKZOUIRHMLKJI-UHFFFAOYSA-N
XLogP4.65
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine (CID 154008498) is 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine is Cc1ccc(Oc2nc(Nc3cc(C)[nH]n3)c(C)c(N3CCCCC3)n2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is IRKZOUIRHMLKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-7-9-17(10-8-14)28-21-23-19(22-18-13-15(2)25-26-18)16(3)20(24-21)27-11-5-4-6-12-27/h7-10,13H,4-6,11-12H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine?
5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 154008498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).