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

C15H19FN4 — CID 80816769

IUPAC6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)c2ccc(F)cc2)c1C
InChIInChI=1S/C15H19FN4/c1-5-17-14-10(2)15(19-11(3)18-14)20(4)13-8-6-12(16)7-9-13/h6-9H,5H2,1-4H3,(H,17,18,19)
InChIKeyGIHMDJKRKCLPCM-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.43
Rot. Bonds4

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

6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80816769) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80816769
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)c2ccc(F)cc2)c1C
InChIInChI=1S/C15H19FN4/c1-5-17-14-10(2)15(19-11(3)18-14)20(4)13-8-6-12(16)7-9-13/h6-9H,5H2,1-4H3,(H,17,18,19)
InChIKeyGIHMDJKRKCLPCM-UHFFFAOYSA-N
XLogP3.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80749797
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777604
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80757142
N-(4-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 80908609
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80793711
4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80817498
4-N,6-N-diethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774157
4-N-(4-chloro-2-fluorophenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80800979
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80788923
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 105420985
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80816769) is 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(N(C)c2ccc(F)cc2)c1C.
What is the InChIKey of 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is GIHMDJKRKCLPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-5-17-14-10(2)15(19-11(3)18-14)20(4)13-8-6-12(16)7-9-13/h6-9H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80816769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).