4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine

C15H18N2 — CID 21336338

IUPAC4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine
SMILESCc1nc(-c2ccccc2)nc(C)c1C(C)C
InChIInChI=1S/C15H18N2/c1-10(2)14-11(3)16-15(17-12(14)4)13-8-6-5-7-9-13/h5-10H,1-4H3
InChIKeyGPZMGQQEIGCJRF-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.88
Rot. Bonds2

About 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine

4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine (PubChem CID 21336338) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine
PubChem CID21336338
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine
SMILESCc1nc(-c2ccccc2)nc(C)c1C(C)C
InChIInChI=1S/C15H18N2/c1-10(2)14-11(3)16-15(17-12(14)4)13-8-6-5-7-9-13/h5-10H,1-4H3
InChIKeyGPZMGQQEIGCJRF-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine (CID 21336338) is 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine is Cc1nc(-c2ccccc2)nc(C)c1C(C)C.
What is the InChIKey of 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine?
The InChIKey is GPZMGQQEIGCJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10(2)14-11(3)16-15(17-12(14)4)13-8-6-5-7-9-13/h5-10H,1-4H3.
What are the key properties of 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine?
4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine has a molecular weight of 226.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-phenyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 21336338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).