4-methyl-6-phenylpyrimidine

C11H10N2 — CID 598429

IUPAC4-methyl-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C11H10N2/c1-9-7-11(13-8-12-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMTGUMZRYKWCXGO-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.45
Rot. Bonds1

About 4-methyl-6-phenylpyrimidine

4-methyl-6-phenylpyrimidine (PubChem CID 598429) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-phenylpyrimidine
PubChem CID598429
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name4-methyl-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C11H10N2/c1-9-7-11(13-8-12-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMTGUMZRYKWCXGO-UHFFFAOYSA-N
XLogP2.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenylpyrimidine?
The IUPAC name of 4-methyl-6-phenylpyrimidine (CID 598429) is 4-methyl-6-phenylpyrimidine.
What is the SMILES notation for 4-methyl-6-phenylpyrimidine?
The canonical SMILES for 4-methyl-6-phenylpyrimidine is Cc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-methyl-6-phenylpyrimidine?
The InChIKey is MTGUMZRYKWCXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-9-7-11(13-8-12-9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 4-methyl-6-phenylpyrimidine?
4-methyl-6-phenylpyrimidine has a molecular weight of 170.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenylpyrimidine is sourced from PubChem (CID 598429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).