4,5,6-trimethyl-2-phenylpyrimidine

C13H14N2 — CID 21336303

IUPAC4,5,6-trimethyl-2-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)nc(C)c1C
InChIInChI=1S/C13H14N2/c1-9-10(2)14-13(15-11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyFVJPJEPQNNEXLS-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.07
Rot. Bonds1

About 4,5,6-trimethyl-2-phenylpyrimidine

4,5,6-trimethyl-2-phenylpyrimidine (PubChem CID 21336303) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-phenylpyrimidine
PubChem CID21336303
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4,5,6-trimethyl-2-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)nc(C)c1C
InChIInChI=1S/C13H14N2/c1-9-10(2)14-13(15-11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3
InChIKeyFVJPJEPQNNEXLS-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-phenylpyrimidine?
The IUPAC name of 4,5,6-trimethyl-2-phenylpyrimidine (CID 21336303) is 4,5,6-trimethyl-2-phenylpyrimidine.
What is the SMILES notation for 4,5,6-trimethyl-2-phenylpyrimidine?
The canonical SMILES for 4,5,6-trimethyl-2-phenylpyrimidine is Cc1nc(-c2ccccc2)nc(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-phenylpyrimidine?
The InChIKey is FVJPJEPQNNEXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-10(2)14-13(15-11(9)3)12-7-5-4-6-8-12/h4-8H,1-3H3.
What are the key properties of 4,5,6-trimethyl-2-phenylpyrimidine?
4,5,6-trimethyl-2-phenylpyrimidine has a molecular weight of 198.27 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-phenylpyrimidine is sourced from PubChem (CID 21336303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).