4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine

C13H16FN5O2 — CID 80773421

IUPAC4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(OC)c(F)c2)nc(OC)n1
InChIInChI=1S/C13H16FN5O2/c1-4-15-11-17-12(19-13(18-11)21-3)16-8-5-6-10(20-2)9(14)7-8/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyCYXPZKQUIPDLPG-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.20
Rot. Bonds6

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

4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80773421) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80773421
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(OC)c(F)c2)nc(OC)n1
InChIInChI=1S/C13H16FN5O2/c1-4-15-11-17-12(19-13(18-11)21-3)16-8-5-6-10(20-2)9(14)7-8/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyCYXPZKQUIPDLPG-UHFFFAOYSA-N
XLogP2.20
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80750770
2-N-(1-benzothiophen-5-yl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80828180
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80849919
2-N-(3,4-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589382
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181
N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62861592
6-chloro-2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4-diamine;cycloheptanamine;2-N-cycloheptyl-6-N-ethyl-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine;4,6-dichloro-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazin-2-amine;ethanamine;3-fluoro-4-methoxyaniline;methane;2,4,6-trichloro-1,3,5-triazine
CID 160672748
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 142961089

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80773421) is 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2ccc(OC)c(F)c2)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is CYXPZKQUIPDLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-4-15-11-17-12(19-13(18-11)21-3)16-8-5-6-10(20-2)9(14)7-8/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 293.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).