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

C16H19N5 — CID 112875748

IUPAC2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCCN(CC)c1cc(Nc2ccccc2C#N)nc(C)n1
InChIInChI=1S/C16H19N5/c1-4-21(5-2)16-10-15(18-12(3)19-16)20-14-9-7-6-8-13(14)11-17/h6-10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyXNSJNBTWNAYOPG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.25
Rot. Bonds5

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

2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112875748) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112875748
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCCN(CC)c1cc(Nc2ccccc2C#N)nc(C)n1
InChIInChI=1S/C16H19N5/c1-4-21(5-2)16-10-15(18-12(3)19-16)20-14-9-7-6-8-13(14)11-17/h6-10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyXNSJNBTWNAYOPG-UHFFFAOYSA-N
XLogP3.25
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875723
2-[[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877966
2-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzonitrile;hydrochloride
CID 20997764
2-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112876333
2-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877501
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875657
2-[[4-[4-(diethylamino)anilino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931745
6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847628
2-[[6-(3-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878078
2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112868587
2-[[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878544
N-[4-[[6-(2-cyanoanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878813

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile (CID 112875748) is 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile is CCN(CC)c1cc(Nc2ccccc2C#N)nc(C)n1.
What is the InChIKey of 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is XNSJNBTWNAYOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-21(5-2)16-10-15(18-12(3)19-16)20-14-9-7-6-8-13(14)11-17/h6-10H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile?
2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112875748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).