2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile

C12H10N4 — CID 82014153

IUPAC2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile
SMILESCc1ccnc(-c2cccc(N)c2C#N)n1
InChIInChI=1S/C12H10N4/c1-8-5-6-15-12(16-8)9-3-2-4-11(14)10(9)7-13/h2-6H,14H2,1H3
InChIKeyINJJGFOHRLFTHZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.91
Rot. Bonds1

About 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile

2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile (PubChem CID 82014153) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile
PubChem CID82014153
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile
SMILESCc1ccnc(-c2cccc(N)c2C#N)n1
InChIInChI=1S/C12H10N4/c1-8-5-6-15-12(16-8)9-3-2-4-11(14)10(9)7-13/h2-6H,14H2,1H3
InChIKeyINJJGFOHRLFTHZ-UHFFFAOYSA-N
XLogP1.91
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile?
The IUPAC name of 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile (CID 82014153) is 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile.
What is the SMILES notation for 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile?
The canonical SMILES for 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile is Cc1ccnc(-c2cccc(N)c2C#N)n1.
What is the InChIKey of 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile?
The InChIKey is INJJGFOHRLFTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-5-6-15-12(16-8)9-3-2-4-11(14)10(9)7-13/h2-6H,14H2,1H3.
What are the key properties of 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile?
2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methylpyrimidin-2-yl)benzonitrile is sourced from PubChem (CID 82014153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).