4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile

C13H10F2N4 — CID 91320280

IUPAC4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile
SMILESCC(Nc1ccnc(C#N)n1)c1ccc(F)cc1F
InChIInChI=1S/C13H10F2N4/c1-8(10-3-2-9(14)6-11(10)15)18-12-4-5-17-13(7-16)19-12/h2-6,8H,1H3,(H,17,18,19)
InChIKeySRJJZMBEVJFXNQ-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.80
Rot. Bonds3

About 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile

4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile (PubChem CID 91320280) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile
PubChem CID91320280
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile
SMILESCC(Nc1ccnc(C#N)n1)c1ccc(F)cc1F
InChIInChI=1S/C13H10F2N4/c1-8(10-3-2-9(14)6-11(10)15)18-12-4-5-17-13(7-16)19-12/h2-6,8H,1H3,(H,17,18,19)
InChIKeySRJJZMBEVJFXNQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 32572910
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
2-chloro-5-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
CID 43686866
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]quinolin-8-amine
CID 43191671
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
4-[1-(2,4-difluorophenyl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 56583939
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 62810510
4-acetyl-3-[1-(2,4-difluorophenyl)ethylamino]benzonitrile
CID 133465956
5-[[1-(2,4-difluorophenyl)ethylamino]methyl]furan-2-carbonitrile
CID 115651361
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 137351326

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile (CID 91320280) is 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile is CC(Nc1ccnc(C#N)n1)c1ccc(F)cc1F.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile?
The InChIKey is SRJJZMBEVJFXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c1-8(10-3-2-9(14)6-11(10)15)18-12-4-5-17-13(7-16)19-12/h2-6,8H,1H3,(H,17,18,19).
What are the key properties of 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile?
4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile has a molecular weight of 260.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 91320280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).