2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile

C15H15FN4 — CID 107544870

IUPAC2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C15H15FN4/c1-10-7-13(16)4-3-12(10)5-6-18-15-19-11(2)8-14(9-17)20-15/h3-4,7-8H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyZCRXRQYFBOKPLR-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.76
Rot. Bonds4

About 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile

2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544870) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544870
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C15H15FN4/c1-10-7-13(16)4-3-12(10)5-6-18-15-19-11(2)8-14(9-17)20-15/h3-4,7-8H,5-6H2,1-2H3,(H,18,19,20)
InChIKeyZCRXRQYFBOKPLR-UHFFFAOYSA-N
XLogP2.76
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543250
5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362741
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
4-bromo-2-[2-(4-fluoro-2-methylphenyl)ethylamino]benzonitrile
CID 114902035
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile (CID 107544870) is 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCCc2ccc(F)cc2C)n1.
What is the InChIKey of 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is ZCRXRQYFBOKPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-10-7-13(16)4-3-12(10)5-6-18-15-19-11(2)8-14(9-17)20-15/h3-4,7-8H,5-6H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile?
2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).