4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile

C12H10N4 — CID 68627082

IUPAC4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
SMILESCc1cnc(N)nc1-c1ccc(C#N)cc1
InChIInChI=1S/C12H10N4/c1-8-7-15-12(14)16-11(8)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H2,14,15,16)
InChIKeyAAQUYTVNDXNCJA-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.91
Rot. Bonds1

About 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile

4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile (PubChem CID 68627082) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
PubChem CID68627082
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile
SMILESCc1cnc(N)nc1-c1ccc(C#N)cc1
InChIInChI=1S/C12H10N4/c1-8-7-15-12(14)16-11(8)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H2,14,15,16)
InChIKeyAAQUYTVNDXNCJA-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile?
The IUPAC name of 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile (CID 68627082) is 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile.
What is the SMILES notation for 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile?
The canonical SMILES for 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile is Cc1cnc(N)nc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile?
The InChIKey is AAQUYTVNDXNCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-7-15-12(14)16-11(8)10-4-2-9(6-13)3-5-10/h2-5,7H,1H3,(H2,14,15,16).
What are the key properties of 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile?
4-(2-amino-5-methylpyrimidin-4-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 4-(2-amino-5-methylpyrimidin-4-yl)benzonitrile is sourced from PubChem (CID 68627082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).