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

C15H17N5 — CID 80821850

IUPAC4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
SMILESCCNc1nc(C)cc(NCc2ccc(C#N)cc2)n1
InChIInChI=1S/C15H17N5/c1-3-17-15-19-11(2)8-14(20-15)18-10-13-6-4-12(9-16)5-7-13/h4-8H,3,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyDCCSXEOIMCADAY-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.70
Rot. Bonds5

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

4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile (PubChem CID 80821850) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
PubChem CID80821850
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile
SMILESCCNc1nc(C)cc(NCc2ccc(C#N)cc2)n1
InChIInChI=1S/C15H17N5/c1-3-17-15-19-11(2)8-14(20-15)18-10-13-6-4-12(9-16)5-7-13/h4-8H,3,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyDCCSXEOIMCADAY-UHFFFAOYSA-N
XLogP2.70
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80822833
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
4-[[4-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112916468
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
CID 114769974
4-[[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112919557
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile
CID 80821858
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112906997
4-[[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112928708
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile?
The IUPAC name of 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile (CID 80821850) is 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile?
The canonical SMILES for 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile is CCNc1nc(C)cc(NCc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile?
The InChIKey is DCCSXEOIMCADAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-17-15-19-11(2)8-14(20-15)18-10-13-6-4-12(9-16)5-7-13/h4-8H,3,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile?
4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 80821850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).