4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile

C15H14N6 — CID 107794960

IUPAC4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
SMILESCCNc1cc(Nc2ccc(C#N)c(C#N)c2)nc(C)n1
InChIInChI=1S/C15H14N6/c1-3-18-14-7-15(20-10(2)19-14)21-13-5-4-11(8-16)12(6-13)9-17/h4-7H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyWRXXUOFVQZBTNK-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.70
Rot. Bonds4

About 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile

4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile (PubChem CID 107794960) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
PubChem CID107794960
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
SMILESCCNc1cc(Nc2ccc(C#N)c(C#N)c2)nc(C)n1
InChIInChI=1S/C15H14N6/c1-3-18-14-7-15(20-10(2)19-14)21-13-5-4-11(8-16)12(6-13)9-17/h4-7H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyWRXXUOFVQZBTNK-UHFFFAOYSA-N
XLogP2.70
TPSA97.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107795039
4-bromo-2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 107801773
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 99980348
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 80825643
2-bromo-4-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 112736248
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 80760803
4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile
CID 107794996
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 122324032
4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
CID 107795475
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
CID 80797148

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile (CID 107794960) is 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile is CCNc1cc(Nc2ccc(C#N)c(C#N)c2)nc(C)n1.
What is the InChIKey of 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile?
The InChIKey is WRXXUOFVQZBTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-3-18-14-7-15(20-10(2)19-14)21-13-5-4-11(8-16)12(6-13)9-17/h4-7H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile?
4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107794960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).