2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine

C13H13F3N4 — CID 80855581

IUPAC2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(Nc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C13H13F3N4/c1-3-17-13-18-7(2)4-11(20-13)19-12-9(15)5-8(14)6-10(12)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyYPZKMKUNQVWBTG-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.38
Rot. Bonds4

About 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 80855581) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID80855581
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(Nc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C13H13F3N4/c1-3-17-13-18-7(2)4-11(20-13)19-12-9(15)5-8(14)6-10(12)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyYPZKMKUNQVWBTG-UHFFFAOYSA-N
XLogP3.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 83075606
6-N-ethyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4,6-triamine
CID 80855579
4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788165
2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80793878
4-N-(3,5-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80759200
2-N-ethyl-6-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80828673
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80838128
4-N-(4-bromo-3-fluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80842688
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine (CID 80855581) is 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine is CCNc1nc(C)cc(Nc2c(F)cc(F)cc2F)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is YPZKMKUNQVWBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-3-17-13-18-7(2)4-11(20-13)19-12-9(15)5-8(14)6-10(12)16/h4-6H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80855581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).