2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine

C16H14N4 — CID 90064783

IUPAC2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
SMILESCc1ccc(-c2ncc(-c3ncc(C)cn3)cn2)cc1
InChIInChI=1S/C16H14N4/c1-11-3-5-13(6-4-11)15-19-9-14(10-20-15)16-17-7-12(2)8-18-16/h3-10H,1-2H3
InChIKeyUVYYQRNZMAZTAN-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.22
Rot. Bonds2

About 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine

2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine (PubChem CID 90064783) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
PubChem CID90064783
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
SMILESCc1ccc(-c2ncc(-c3ncc(C)cn3)cn2)cc1
InChIInChI=1S/C16H14N4/c1-11-3-5-13(6-4-11)15-19-9-14(10-20-15)16-17-7-12(2)8-18-16/h3-10H,1-2H3
InChIKeyUVYYQRNZMAZTAN-UHFFFAOYSA-N
XLogP3.22
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine?
The IUPAC name of 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine (CID 90064783) is 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine is Cc1ccc(-c2ncc(-c3ncc(C)cn3)cn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine?
The InChIKey is UVYYQRNZMAZTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11-3-5-13(6-4-11)15-19-9-14(10-20-15)16-17-7-12(2)8-18-16/h3-10H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine?
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine has a molecular weight of 262.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 90064783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).