2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile

C19H14N6 — CID 112932302

IUPAC2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCc1cc(Nc2ccccc2C#N)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C19H14N6/c1-13-10-18(23-16-8-4-2-6-14(16)11-20)25-19(22-13)24-17-9-5-3-7-15(17)12-21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyXBLLSNAHNDPUKT-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.02
Rot. Bonds4

About 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile

2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112932302) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112932302
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCc1cc(Nc2ccccc2C#N)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C19H14N6/c1-13-10-18(23-16-8-4-2-6-14(16)11-20)25-19(22-13)24-17-9-5-3-7-15(17)12-21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyXBLLSNAHNDPUKT-UHFFFAOYSA-N
XLogP4.02
TPSA97.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930539
2-[[6-methyl-2-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112929004
2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112927391
2-[[2-(2,5-dichloroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932214
2-[[4-(tert-butylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112924739
2-[[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932226
2-[[2-(3-chloroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112929783
2-[[2-(2,6-diethylanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112929147
2-[[4-(2,6-diethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929134
4-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194394
N-[4-[[4-(2-cyanoanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931566
2-[[2-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930367

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile (CID 112932302) is 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile is Cc1cc(Nc2ccccc2C#N)nc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is XBLLSNAHNDPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-13-10-18(23-16-8-4-2-6-14(16)11-20)25-19(22-13)24-17-9-5-3-7-15(17)12-21/h2-10H,1H3,(H2,22,23,24,25).
What are the key properties of 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile?
2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 326.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112932302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).