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

C19H17N5 — CID 112927391

IUPAC2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccccc3C#N)n2)cc1
InChIInChI=1S/C19H17N5/c1-13-7-9-16(10-8-13)22-18-11-14(2)21-19(24-18)23-17-6-4-3-5-15(17)12-20/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyLCKBRNLGXHNHJU-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.45
Rot. Bonds4

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

2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile (PubChem CID 112927391) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile
PubChem CID112927391
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccccc3C#N)n2)cc1
InChIInChI=1S/C19H17N5/c1-13-7-9-16(10-8-13)22-18-11-14(2)21-19(24-18)23-17-6-4-3-5-15(17)12-20/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyLCKBRNLGXHNHJU-UHFFFAOYSA-N
XLogP4.45
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932302
4-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194394
2-[[4-[4-(diethylamino)anilino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931745
2-[[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932226
N-[4-[[4-(2-cyanoanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931566
2-[[4-(tert-butylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112924739
2-[[4-(3-acetylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931390
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
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
2-[[4-(2,6-diethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929134
2-[[2-(3-chloroanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112929783

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile (CID 112927391) is 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile is Cc1ccc(Nc2cc(C)nc(Nc3ccccc3C#N)n2)cc1.
What is the InChIKey of 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile?
The InChIKey is LCKBRNLGXHNHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-7-9-16(10-8-13)22-18-11-14(2)21-19(24-18)23-17-6-4-3-5-15(17)12-20/h3-11H,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile?
2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile has a molecular weight of 315.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 112927391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).