6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C14H18FN5O — CID 80798516

IUPAC6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(CC)c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5O/c1-4-20(11-8-6-10(15)7-9-11)13-17-12(16-3)18-14(19-13)21-5-2/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyXOPKXOGBQDXNDT-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.61
Rot. Bonds6

About 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80798516) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80798516
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(CC)c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5O/c1-4-20(11-8-6-10(15)7-9-11)13-17-12(16-3)18-14(19-13)21-5-2/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyXOPKXOGBQDXNDT-UHFFFAOYSA-N
XLogP2.61
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-ethoxy-2-N-ethyl-2-N-(3-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80792211
2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866080
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 82812014
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
4-ethoxy-6-(2-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80863784
2-N-ethyl-2-N-(3-fluorophenyl)-4-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80792799
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80749975
2-[cyanomethyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80753645
2-N-cyclohexyl-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80761478
2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 129285934
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 102640102

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80798516) is 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(N(CC)c2ccc(F)cc2)n1.
What is the InChIKey of 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XOPKXOGBQDXNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-4-20(11-8-6-10(15)7-9-11)13-17-12(16-3)18-14(19-13)21-5-2/h6-9H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80798516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).