2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine

C15H19FN4 — CID 80785003

IUPAC2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCc2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-3-17-15-19-10-11(2)14(20-15)18-9-8-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyLDUIASYXFVMYFJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.01
Rot. Bonds6

About 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine

2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 80785003) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID80785003
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCc2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-3-17-15-19-10-11(2)14(20-15)18-9-8-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyLDUIASYXFVMYFJ-UHFFFAOYSA-N
XLogP3.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-5-fluoro-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 106262703
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041717
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80772301
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
2-N-ethyl-5-fluoro-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 80771381
N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475197
2-N-ethyl-5-fluoro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801576
2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792497
2-N-ethyl-5-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825104
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80944185

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine (CID 80785003) is 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(NCCc2ccccc2F)n1.
What is the InChIKey of 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is LDUIASYXFVMYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-17-15-19-10-11(2)14(20-15)18-9-8-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine?
2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80785003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).