2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile

C14H10FN5 — CID 107543250

IUPAC2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCc2ccc(C#N)cc2F)n1
InChIInChI=1S/C14H10FN5/c1-9-4-12(7-17)20-14(19-9)18-8-11-3-2-10(6-16)5-13(11)15/h2-5H,8H2,1H3,(H,18,19,20)
InChIKeyWQZSBRSVYMVFOS-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.28
Rot. Bonds3

About 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile

2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543250) has the molecular formula C14H10FN5 and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107543250
Molecular FormulaC14H10FN5
Molecular Weight267.27 g/mol
Exact Mass267.09
IUPAC Name2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NCc2ccc(C#N)cc2F)n1
InChIInChI=1S/C14H10FN5/c1-9-4-12(7-17)20-14(19-9)18-8-11-3-2-10(6-16)5-13(11)15/h2-5H,8H2,1H3,(H,18,19,20)
InChIKeyWQZSBRSVYMVFOS-UHFFFAOYSA-N
XLogP2.28
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-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

4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 65418398
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
2-[2-(4-fluoro-2-methylphenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544870
4-[(2,2-dimethylpropylamino)methyl]-3-fluorobenzonitrile
CID 61167615
3-fluoro-4-[(3-fluoro-5-methylanilino)methyl]benzonitrile
CID 79054750
3-fluoro-4-[[(5-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 63359185
4-[(2,6-dibromo-4-methylanilino)methyl]-3-fluorobenzonitrile
CID 28991488
4-[(4-cyano-3-methylanilino)methyl]-3-fluorobenzonitrile
CID 81273859
3-fluoro-4-[[(4-methoxyphenyl)methylamino]methyl]benzonitrile
CID 28575352
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
3-fluoro-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 103275490
3-fluoro-4-[[(5-nitropyrimidin-2-yl)amino]methyl]benzonitrile
CID 63359181

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile (CID 107543250) is 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NCc2ccc(C#N)cc2F)n1.
What is the InChIKey of 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is WQZSBRSVYMVFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5/c1-9-4-12(7-17)20-14(19-9)18-8-11-3-2-10(6-16)5-13(11)15/h2-5H,8H2,1H3,(H,18,19,20).
What are the key properties of 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile?
2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 267.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).