6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine

C22H21N5 — CID 1082032

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3nc(C)cc3C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H21N5/c1-15-9-11-19(12-10-15)23-20-14-21(27-17(3)13-16(2)26-27)25-22(24-20)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,24,25)
InChIKeyWKKFOEGOTXBDOX-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.00
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 1082032) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine
PubChem CID1082032
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(-n3nc(C)cc3C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H21N5/c1-15-9-11-19(12-10-15)23-20-14-21(27-17(3)13-16(2)26-27)25-22(24-20)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,24,25)
InChIKeyWKKFOEGOTXBDOX-UHFFFAOYSA-N
XLogP5.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine (CID 1082032) is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine is Cc1ccc(Nc2cc(-n3nc(C)cc3C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is WKKFOEGOTXBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-15-9-11-19(12-10-15)23-20-14-21(27-17(3)13-16(2)26-27)25-22(24-20)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,24,25).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 1082032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).