2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile

C16H18N4 — CID 115143317

IUPAC2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(NCc2cc(C)c(C)cc2C)n1
InChIInChI=1S/C16H18N4/c1-10-5-12(3)14(6-11(10)2)9-18-16-7-15(8-17)19-13(4)20-16/h5-7H,9H2,1-4H3,(H,18,19,20)
InChIKeyVOOYOWAXCZUPEU-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.19
Rot. Bonds3

About 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile

2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 115143317) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile
PubChem CID115143317
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(NCc2cc(C)c(C)cc2C)n1
InChIInChI=1S/C16H18N4/c1-10-5-12(3)14(6-11(10)2)9-18-16-7-15(8-17)19-13(4)20-16/h5-7H,9H2,1-4H3,(H,18,19,20)
InChIKeyVOOYOWAXCZUPEU-UHFFFAOYSA-N
XLogP3.19
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143301
6-[(3-bromophenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143328
6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143303
3-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 43762516
6-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143395
4-[[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112871775
2-methyl-6-[(6-methyl-1,3-benzodioxol-5-yl)amino]pyrimidine-4-carbonitrile
CID 115143215
3-bromo-4-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 43786547
6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
CID 115143180
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 107803442
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile (CID 115143317) is 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile is Cc1nc(C#N)cc(NCc2cc(C)c(C)cc2C)n1.
What is the InChIKey of 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is VOOYOWAXCZUPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-5-12(3)14(6-11(10)2)9-18-16-7-15(8-17)19-13(4)20-16/h5-7H,9H2,1-4H3,(H,18,19,20).
What are the key properties of 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile?
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).