5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

C12H13FN4 — CID 80760868

IUPAC5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccccc1F
InChIInChI=1S/C12H13FN4/c1-2-8-11(14)15-7-16-12(8)17-10-6-4-3-5-9(10)13/h3-7H,2H2,1H3,(H3,14,15,16,17)
InChIKeyQXJXDEMZLKDOFV-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.50
Rot. Bonds3

About 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80760868) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID80760868
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccccc1F
InChIInChI=1S/C12H13FN4/c1-2-8-11(14)15-7-16-12(8)17-10-6-4-3-5-9(10)13/h3-7H,2H2,1H3,(H3,14,15,16,17)
InChIKeyQXJXDEMZLKDOFV-UHFFFAOYSA-N
XLogP2.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80835155
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069
4-N-(2,3-difluorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80798019
4-N-(2,3-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80797806
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80760702
4-N-(3-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80814540

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine (CID 80760868) is 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccccc1F.
What is the InChIKey of 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is QXJXDEMZLKDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-2-8-11(14)15-7-16-12(8)17-10-6-4-3-5-9(10)13/h3-7H,2H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80760868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).