5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine

C11H8F4N4 — CID 80824444

IUPAC5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2cc(F)c(F)cc2F)n1
InChIInChI=1S/C11H8F4N4/c1-16-11-17-4-8(15)10(19-11)18-9-3-6(13)5(12)2-7(9)14/h2-4H,1H3,(H2,16,17,18,19)
InChIKeyFQZHOBHWSBDYNX-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.82
Rot. Bonds3

About 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80824444) has the molecular formula C11H8F4N4 and a molecular weight of 272.20 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID80824444
Molecular FormulaC11H8F4N4
Molecular Weight272.20 g/mol
Exact Mass272.07
IUPAC Name5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2cc(F)c(F)cc2F)n1
InChIInChI=1S/C11H8F4N4/c1-16-11-17-4-8(15)10(19-11)18-9-3-6(13)5(12)2-7(9)14/h2-4H,1H3,(H2,16,17,18,19)
InChIKeyFQZHOBHWSBDYNX-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-2,4-diamine
CID 107647119
4-N-(2-bromo-5-fluorophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 107639327
4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80760549
5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
3-chloro-4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107810601
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763314
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800229
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789
4-N-(4-ethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80761999

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine (CID 80824444) is 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(Nc2cc(F)c(F)cc2F)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is FQZHOBHWSBDYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4/c1-16-11-17-4-8(15)10(19-11)18-9-3-6(13)5(12)2-7(9)14/h2-4H,1H3,(H2,16,17,18,19).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 272.20 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80824444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).