4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine

C15H18N2 — CID 70659256

IUPAC4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)nc(CC(C)C)n1
InChIInChI=1S/C15H18N2/c1-11(2)9-15-16-12(3)10-14(17-15)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3
InChIKeyBXQXXPWAXFCWFP-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.65
Rot. Bonds3

About 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine

4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine (PubChem CID 70659256) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
PubChem CID70659256
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)nc(CC(C)C)n1
InChIInChI=1S/C15H18N2/c1-11(2)9-15-16-12(3)10-14(17-15)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3
InChIKeyBXQXXPWAXFCWFP-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine (CID 70659256) is 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine is Cc1cc(-c2ccccc2)nc(CC(C)C)n1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine?
The InChIKey is BXQXXPWAXFCWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(2)9-15-16-12(3)10-14(17-15)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine?
4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine has a molecular weight of 226.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-6-phenylpyrimidine is sourced from PubChem (CID 70659256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).