5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine

C23H28N2 — CID 58462634

IUPAC5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(-c2ccc3c(C(C)C)c(C(C)C)ccc3c2)cn1
InChIInChI=1S/C23H28N2/c1-14(2)20-9-8-18-11-17(7-10-21(18)22(20)15(3)4)19-12-24-23(16(5)6)25-13-19/h7-16H,1-6H3
InChIKeyWHJNIUFDVYSWCU-UHFFFAOYSA-N
MW332.49 g/mol
LogP6.67
Rot. Bonds4

About 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine

5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine (PubChem CID 58462634) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine
PubChem CID58462634
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(-c2ccc3c(C(C)C)c(C(C)C)ccc3c2)cn1
InChIInChI=1S/C23H28N2/c1-14(2)20-9-8-18-11-17(7-10-21(18)22(20)15(3)4)19-12-24-23(16(5)6)25-13-19/h7-16H,1-6H3
InChIKeyWHJNIUFDVYSWCU-UHFFFAOYSA-N
XLogP6.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine (CID 58462634) is 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine is CC(C)c1ncc(-c2ccc3c(C(C)C)c(C(C)C)ccc3c2)cn1.
What is the InChIKey of 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine?
The InChIKey is WHJNIUFDVYSWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-14(2)20-9-8-18-11-17(7-10-21(18)22(20)15(3)4)19-12-24-23(16(5)6)25-13-19/h7-16H,1-6H3.
What are the key properties of 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine?
5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine has a molecular weight of 332.49 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 58462634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).