4,6-dimethyl-2-naphthalen-1-ylpyrimidine

C16H14N2 — CID 123358554

IUPAC4,6-dimethyl-2-naphthalen-1-ylpyrimidine
SMILESCc1cc(C)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C16H14N2/c1-11-10-12(2)18-16(17-11)15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3
InChIKeyHGZVAKPHQAPTHH-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.91
Rot. Bonds1

About 4,6-dimethyl-2-naphthalen-1-ylpyrimidine

4,6-dimethyl-2-naphthalen-1-ylpyrimidine (PubChem CID 123358554) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-naphthalen-1-ylpyrimidine
PubChem CID123358554
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name4,6-dimethyl-2-naphthalen-1-ylpyrimidine
SMILESCc1cc(C)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C16H14N2/c1-11-10-12(2)18-16(17-11)15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3
InChIKeyHGZVAKPHQAPTHH-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-naphthalen-1-ylpyrimidine (CID 123358554) is 4,6-dimethyl-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-naphthalen-1-ylpyrimidine is Cc1cc(C)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 4,6-dimethyl-2-naphthalen-1-ylpyrimidine?
The InChIKey is HGZVAKPHQAPTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-10-12(2)18-16(17-11)15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3.
What are the key properties of 4,6-dimethyl-2-naphthalen-1-ylpyrimidine?
4,6-dimethyl-2-naphthalen-1-ylpyrimidine has a molecular weight of 234.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 123358554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).