4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

C14H16F2N4 — CID 103587790

IUPAC4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C14H16F2N4/c1-4-17-14-18-7-9(3)13(20-14)19-12-6-10(15)8(2)5-11(12)16/h5-7H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyIRURWZDJSUELKE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds4

About 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 103587790) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID103587790
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cc(F)c(C)cc2F)n1
InChIInChI=1S/C14H16F2N4/c1-4-17-14-18-7-9(3)13(20-14)19-12-6-10(15)8(2)5-11(12)16/h5-7H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyIRURWZDJSUELKE-UHFFFAOYSA-N
XLogP3.55
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 103587864
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 103587868
2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825104
5-chloro-2-N-ethyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80824592
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 103586890
2-N-ethyl-5-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759795
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
4-N-(4-bromo-3-fluorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80843555
5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 102855605
4-N-(2-fluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80754909
2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792497

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 103587790) is 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(Nc2cc(F)c(C)cc2F)n1.
What is the InChIKey of 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is IRURWZDJSUELKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c1-4-17-14-18-7-9(3)13(20-14)19-12-6-10(15)8(2)5-11(12)16/h5-7H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 278.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 103587790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).