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

C13H10F2N4 — CID 115143001

IUPAC6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
SMILESCN(Cc1cc(F)ccc1F)c1cc(C#N)ncn1
InChIInChI=1S/C13H10F2N4/c1-19(13-5-11(6-16)17-8-18-13)7-9-4-10(14)2-3-12(9)15/h2-5,8H,7H2,1H3
InChIKeyOARJZMDXYUKLBX-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.26
Rot. Bonds3

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

6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile (PubChem CID 115143001) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
PubChem CID115143001
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
SMILESCN(Cc1cc(F)ccc1F)c1cc(C#N)ncn1
InChIInChI=1S/C13H10F2N4/c1-19(13-5-11(6-16)17-8-18-13)7-9-4-10(14)2-3-12(9)15/h2-5,8H,7H2,1H3
InChIKeyOARJZMDXYUKLBX-UHFFFAOYSA-N
XLogP2.26
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143016
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
4-N-[(2,5-difluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265534
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142996
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
6-[methyl(1H-pyrrol-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 115143006
4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile
CID 62981738
2-N-[(2,5-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147436
6-(2-methoxy-N-methylanilino)pyrimidine-4-carbonitrile
CID 115142865
6-[tert-butyl(methyl)amino]pyrimidine-4-carbonitrile
CID 115142786

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile (CID 115143001) is 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile is CN(Cc1cc(F)ccc1F)c1cc(C#N)ncn1.
What is the InChIKey of 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
The InChIKey is OARJZMDXYUKLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c1-19(13-5-11(6-16)17-8-18-13)7-9-4-10(14)2-3-12(9)15/h2-5,8H,7H2,1H3.
What are the key properties of 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile?
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile has a molecular weight of 260.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115143001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).