6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine

C11H9Cl2FN4 — CID 22372155

IUPAC6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(CF)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl2FN4/c12-5-1-2-6(8(13)3-5)9-7(4-14)10(15)18-11(16)17-9/h1-3H,4H2,(H4,15,16,17,18)
InChIKeyUJFJAUBWLFVCTN-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.08
Rot. Bonds2

About 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine

6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine (PubChem CID 22372155) has the molecular formula C11H9Cl2FN4 and a molecular weight of 287.12 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine
PubChem CID22372155
Molecular FormulaC11H9Cl2FN4
Molecular Weight287.12 g/mol
Exact Mass286.02
IUPAC Name6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(CF)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl2FN4/c12-5-1-2-6(8(13)3-5)9-7(4-14)10(15)18-11(16)17-9/h1-3H,4H2,(H4,15,16,17,18)
InChIKeyUJFJAUBWLFVCTN-UHFFFAOYSA-N
XLogP3.08
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine 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

5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
CID 10149532
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10237877
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine
CID 10237546
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041
4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine
CID 126962350
2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 19705121
3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
CID 10215103
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine (CID 22372155) is 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(CF)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UJFJAUBWLFVCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4/c12-5-1-2-6(8(13)3-5)9-7(4-14)10(15)18-11(16)17-9/h1-3H,4H2,(H4,15,16,17,18).
What are the key properties of 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine?
6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 287.12 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 22372155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).