2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile

C14H14N4 — CID 107543299

IUPAC2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
SMILESCc1cc(C)c(Nc2nccc(C#N)n2)c(C)c1
InChIInChI=1S/C14H14N4/c1-9-6-10(2)13(11(3)7-9)18-14-16-5-4-12(8-15)17-14/h4-7H,1-3H3,(H,16,17,18)
InChIKeyZENUBFVNLNTZNO-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.02
Rot. Bonds2

About 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile

2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile (PubChem CID 107543299) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
PubChem CID107543299
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile
SMILESCc1cc(C)c(Nc2nccc(C#N)n2)c(C)c1
InChIInChI=1S/C14H14N4/c1-9-6-10(2)13(11(3)7-9)18-14-16-5-4-12(8-15)17-14/h4-7H,1-3H3,(H,16,17,18)
InChIKeyZENUBFVNLNTZNO-UHFFFAOYSA-N
XLogP3.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-methylanilino)pyrimidine-4-carbonitrile
CID 107635202
2-(2,6-dichloroanilino)pyrimidine-4-carbonitrile
CID 107544709
2-anilinopyrimidine-4-carbonitrile
CID 19392543
2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
CID 107543503
2-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbonitrile
CID 107543448
3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile
CID 62684183
2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
CID 107545233
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212
2-(3-bromo-4-methoxyanilino)pyrimidine-4-carbonitrile
CID 107544716
2-(4-fluoro-3-methoxyanilino)pyrimidine-4-carbonitrile
CID 107545386
2-(2-bromo-5-chloroanilino)pyrimidine-4-carbonitrile
CID 107544923
2-(3-chloro-4-fluoroanilino)pyrimidine-4-carbonitrile
CID 107543559

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile (CID 107543299) is 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile is Cc1cc(C)c(Nc2nccc(C#N)n2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile?
The InChIKey is ZENUBFVNLNTZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-6-10(2)13(11(3)7-9)18-14-16-5-4-12(8-15)17-14/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile?
2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylanilino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).