4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine

C16H16N4 — CID 867737

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine
SMILESCc1cc(C)n(-c2cc(-c3ccccc3)nc(C)n2)n1
InChIInChI=1S/C16H16N4/c1-11-9-12(2)20(19-11)16-10-15(17-13(3)18-16)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyAWDUQJNPFOLYTC-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.25
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine (PubChem CID 867737) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine
PubChem CID867737
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine
SMILESCc1cc(C)n(-c2cc(-c3ccccc3)nc(C)n2)n1
InChIInChI=1S/C16H16N4/c1-11-9-12(2)20(19-11)16-10-15(17-13(3)18-16)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyAWDUQJNPFOLYTC-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine (CID 867737) is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine is Cc1cc(C)n(-c2cc(-c3ccccc3)nc(C)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine?
The InChIKey is AWDUQJNPFOLYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-9-12(2)20(19-11)16-10-15(17-13(3)18-16)14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine has a molecular weight of 264.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-phenylpyrimidine is sourced from PubChem (CID 867737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).