4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C14H18FN5 — CID 115502738

IUPAC4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(-c2ccc(C)c(F)c2)nc(N(C)C)n1
InChIInChI=1S/C14H18FN5/c1-5-16-13-17-12(18-14(19-13)20(3)4)10-7-6-9(2)11(15)8-10/h6-8H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyPSEHJAKWKHUAKA-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.48
Rot. Bonds4

About 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 115502738) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID115502738
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(-c2ccc(C)c(F)c2)nc(N(C)C)n1
InChIInChI=1S/C14H18FN5/c1-5-16-13-17-12(18-14(19-13)20(3)4)10-7-6-9(2)11(15)8-10/h6-8H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyPSEHJAKWKHUAKA-UHFFFAOYSA-N
XLogP2.48
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-ethyl-6-(3-fluoro-2-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115503066
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
6-N-ethyl-4-N-(2-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80728955
4-N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102989134
5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 66302548
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815708
2-N,2-N-dimethyl-6-(4-methyl-3-pyridinyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 66274240
4-(3-chloro-4-methylphenyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 115504311
6-(5-bromo-2-fluorophenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114677283
N-ethyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123829
4-N-ethyl-2-N,2-N-dimethyl-6-(3-methyltriazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 114690853
6-tert-butyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 62192974

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 115502738) is 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(-c2ccc(C)c(F)c2)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PSEHJAKWKHUAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-5-16-13-17-12(18-14(19-13)20(3)4)10-7-6-9(2)11(15)8-10/h6-8H,5H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115502738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).