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

C12H8F2N4 — CID 107544298

IUPAC2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C12H8F2N4/c13-9-2-1-8(11(14)5-9)7-17-12-16-4-3-10(6-15)18-12/h1-5H,7H2,(H,16,17,18)
InChIKeyOSKDXCLYQQGYGW-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.24
Rot. Bonds3

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

2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 107544298) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
PubChem CID107544298
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C12H8F2N4/c13-9-2-1-8(11(14)5-9)7-17-12-16-4-3-10(6-15)18-12/h1-5H,7H2,(H,16,17,18)
InChIKeyOSKDXCLYQQGYGW-UHFFFAOYSA-N
XLogP2.24
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
CID 107544538
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
2-N-[(2,4-difluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 112746178
2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543250
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
2-[(2,4-difluorophenyl)methylamino]-1H-benzimidazole-4-carbonitrile
CID 170579235
2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
CID 154582588
2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62050418
4-[(2,4-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143591
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 107544856

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile (CID 107544298) is 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile is N#Cc1ccnc(NCc2ccc(F)cc2F)n1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is OSKDXCLYQQGYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-9-2-1-8(11(14)5-9)7-17-12-16-4-3-10(6-15)18-12/h1-5H,7H2,(H,16,17,18).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile?
2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 246.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).