5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H10F2N4 — CID 80761234

IUPAC5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H10F2N4/c1-14-11-15-6-9(13)10(17-11)16-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyMSTGQHRFPLOFLS-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.54
Rot. Bonds3

About 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine

5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80761234) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80761234
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H10F2N4/c1-14-11-15-6-9(13)10(17-11)16-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyMSTGQHRFPLOFLS-UHFFFAOYSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763314
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999
5-chloro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761316
4-[[5-fluoro-2-(4-fluoroanilino)pyrimidin-4-yl]amino]phenol
CID 90489150
4-N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80762685
4-N-(2-bromo-5-fluorophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107639327
5-fluoro-2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647119
2-N,4-N-bis[4-(dimethylamino)phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060718
4-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80747835
5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824444
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80761234) is 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is MSTGQHRFPLOFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-14-11-15-6-9(13)10(17-11)16-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 236.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80761234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).