2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile

C19H16N4 — CID 162653033

IUPAC2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile
SMILESCc1cc(Nc2ccc(C#N)c(C)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H16N4/c1-13-10-17(9-8-16(13)12-20)22-18-11-14(2)21-19(23-18)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,21,22,23)
InChIKeyLYASFKGUAVXXBK-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.38
Rot. Bonds3

About 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile

2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 162653033) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile
PubChem CID162653033
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile
SMILESCc1cc(Nc2ccc(C#N)c(C)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H16N4/c1-13-10-17(9-8-16(13)12-20)22-18-11-14(2)21-19(23-18)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,21,22,23)
InChIKeyLYASFKGUAVXXBK-UHFFFAOYSA-N
XLogP4.38
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile (CID 162653033) is 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile is Cc1cc(Nc2ccc(C#N)c(C)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is LYASFKGUAVXXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-10-17(9-8-16(13)12-20)22-18-11-14(2)21-19(23-18)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile?
2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 300.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 162653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).