4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H9ClF2N4 — CID 83082816

IUPAC4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C11H9ClF2N4/c1-15-11-16-3-2-9(18-11)17-10-7(12)4-6(13)5-8(10)14/h2-5H,1H3,(H2,15,16,17,18)
InChIKeyRKAQNGWBFDLZMT-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.19
Rot. Bonds3

About 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 83082816) has the molecular formula C11H9ClF2N4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID83082816
Molecular FormulaC11H9ClF2N4
Molecular Weight270.67 g/mol
Exact Mass270.05
IUPAC Name4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C11H9ClF2N4/c1-15-11-16-3-2-9(18-11)17-10-7(12)4-6(13)5-8(10)14/h2-5H,1H3,(H2,15,16,17,18)
InChIKeyRKAQNGWBFDLZMT-UHFFFAOYSA-N
XLogP3.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761660
4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
4-N-(2-chloro-4,6-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 83082901
5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 83088172
4-N-(2-chloro-4-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755520
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904246
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
4-N-(5-bromo-2-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824850
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
2-N-(2-chloro-4,6-difluorophenyl)-6-propoxypyridine-2,5-diamine
CID 83072874
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 83082816) is 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2c(F)cc(F)cc2Cl)n1.
What is the InChIKey of 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is RKAQNGWBFDLZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4/c1-15-11-16-3-2-9(18-11)17-10-7(12)4-6(13)5-8(10)14/h2-5H,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 270.67 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4,6-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 83082816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).