2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile

C12H8F2N4 — CID 116862775

IUPAC2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
SMILESCNc1cc(C#N)nc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C12H8F2N4/c1-16-11-5-8(6-15)17-12(18-11)9-4-7(13)2-3-10(9)14/h2-5H,1H3,(H,16,17,18)
InChIKeyLKZHOSVYEWPRAQ-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.34
Rot. Bonds2

About 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile

2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile (PubChem CID 116862775) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
PubChem CID116862775
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
SMILESCNc1cc(C#N)nc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C12H8F2N4/c1-16-11-5-8(6-15)17-12(18-11)9-4-7(13)2-3-10(9)14/h2-5H,1H3,(H,16,17,18)
InChIKeyLKZHOSVYEWPRAQ-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
CID 116862794
2-(4-bromophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
CID 116862752
2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 107923946
4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
CID 116867209
6-(2,5-difluorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716671
2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62388957
2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886180
2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
CID 107924049
2-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 83864315
2-(5-fluoro-2-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55067620
2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 62389112
6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile (CID 116862775) is 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile is CNc1cc(C#N)nc(-c2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile?
The InChIKey is LKZHOSVYEWPRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c1-16-11-5-8(6-15)17-12(18-11)9-4-7(13)2-3-10(9)14/h2-5H,1H3,(H,16,17,18).
What are the key properties of 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile?
2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile has a molecular weight of 246.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 116862775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).