6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H16FN5O — CID 80825210

IUPAC6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(Nc2ccc(F)c(C)c2)n1
InChIInChI=1S/C13H16FN5O/c1-4-20-13-18-11(15-3)17-12(19-13)16-9-5-6-10(14)8(2)7-9/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyPMTCUIYUAZMTSD-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.50
Rot. Bonds5

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

6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80825210) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80825210
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(Nc2ccc(F)c(C)c2)n1
InChIInChI=1S/C13H16FN5O/c1-4-20-13-18-11(15-3)17-12(19-13)16-9-5-6-10(14)8(2)7-9/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyPMTCUIYUAZMTSD-UHFFFAOYSA-N
XLogP2.50
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
2-N-(4-bromo-3-chlorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107617887
6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80831638
2-N-(3-bromo-5-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107580965
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
2-N-(4-bromo-2-fluorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80760222
2-N-(4-bromo-2-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80759920
4-N-(4-fluoro-3-methylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80824530
2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80850454
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 55118976
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-5-fluorobenzonitrile
CID 82017193

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80825210) is 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(Nc2ccc(F)c(C)c2)n1.
What is the InChIKey of 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PMTCUIYUAZMTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-4-20-13-18-11(15-3)17-12(19-13)16-9-5-6-10(14)8(2)7-9/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80825210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).