4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C12H13FN4 — CID 80761354

IUPAC4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cccc(F)c2)c1C
InChIInChI=1S/C12H13FN4/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-4-9(13)6-10/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyQPESYKPUVQKZER-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.71
Rot. Bonds3

About 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80761354) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80761354
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2cccc(F)c2)c1C
InChIInChI=1S/C12H13FN4/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-4-9(13)6-10/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyQPESYKPUVQKZER-UHFFFAOYSA-N
XLogP2.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-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

4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924757
4-N-(2-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761030
4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80763247
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
4-N-(3-bromo-4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114262788
3-fluoro-N-methylaniline
CID 2759011
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
CID 66342584
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977
N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709302

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80761354) is 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(Nc2cccc(F)c2)c1C.
What is the InChIKey of 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is QPESYKPUVQKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-4-9(13)6-10/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).