2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine

C22H24N2O — CID 144699512

IUPAC2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(OC(C)C(C)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H24N2O/c1-16-15-17(2)24-21(23-16)25-18(3)22(4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,18H,1-4H3
InChIKeyAYWMETXMBLPSRQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.87
Rot. Bonds5

About 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine

2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine (PubChem CID 144699512) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine
PubChem CID144699512
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(OC(C)C(C)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H24N2O/c1-16-15-17(2)24-21(23-16)25-18(3)22(4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,18H,1-4H3
InChIKeyAYWMETXMBLPSRQ-UHFFFAOYSA-N
XLogP4.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine (CID 144699512) is 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine is Cc1cc(C)nc(OC(C)C(C)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine?
The InChIKey is AYWMETXMBLPSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-15-17(2)24-21(23-16)25-18(3)22(4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-15,18H,1-4H3.
What are the key properties of 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine?
2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine has a molecular weight of 332.45 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylbutan-2-yloxy)-4,6-dimethylpyrimidine is sourced from PubChem (CID 144699512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).