4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine

C16H16N4 — CID 135251507

IUPAC4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
SMILESCc1ccc(-c2nc(C)cc(-c3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C16H16N4/c1-10-4-6-13(7-5-10)16-17-11(2)8-14(18-16)15-9-12(3)19-20-15/h4-9H,1-3H3,(H,19,20)
InChIKeyHVUACHVVTNBLKV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.46
Rot. Bonds2

About 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine

4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine (PubChem CID 135251507) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
PubChem CID135251507
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
SMILESCc1ccc(-c2nc(C)cc(-c3cc(C)[nH]n3)n2)cc1
InChIInChI=1S/C16H16N4/c1-10-4-6-13(7-5-10)16-17-11(2)8-14(18-16)15-9-12(3)19-20-15/h4-9H,1-3H3,(H,19,20)
InChIKeyHVUACHVVTNBLKV-UHFFFAOYSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine (CID 135251507) is 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine is Cc1ccc(-c2nc(C)cc(-c3cc(C)[nH]n3)n2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
The InChIKey is HVUACHVVTNBLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-10-4-6-13(7-5-10)16-17-11(2)8-14(18-16)15-9-12(3)19-20-15/h4-9H,1-3H3,(H,19,20).
What are the key properties of 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine?
4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine has a molecular weight of 264.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine is sourced from PubChem (CID 135251507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).