2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C13H15F2N5O — CID 82803713

IUPAC2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2c(F)ccc(C)c2F)n1
InChIInChI=1S/C13H15F2N5O/c1-3-6-21-13-19-11(16)18-12(20-13)17-10-8(14)5-4-7(2)9(10)15/h4-5H,3,6H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyFHFXPSQFZRNFPO-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.57
Rot. Bonds5

About 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 82803713) has the molecular formula C13H15F2N5O and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID82803713
Molecular FormulaC13H15F2N5O
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(Nc2c(F)ccc(C)c2F)n1
InChIInChI=1S/C13H15F2N5O/c1-3-6-21-13-19-11(16)18-12(20-13)17-10-8(14)5-4-7(2)9(10)15/h4-5H,3,6H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyFHFXPSQFZRNFPO-UHFFFAOYSA-N
XLogP2.57
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-propoxy-2-N-(2,3,4-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80748779
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80846906
2-N-(2-fluoro-5-methoxyphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839761
2-N-[2-(4-fluorophenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771068
6-ethoxy-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80855808
N-(2,6-difluoro-3-methylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 82822031
2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82819504
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911666
2-N-[(3-methyl-4-pyridinyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114702251

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 82803713) is 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(Nc2c(F)ccc(C)c2F)n1.
What is the InChIKey of 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is FHFXPSQFZRNFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O/c1-3-6-21-13-19-11(16)18-12(20-13)17-10-8(14)5-4-7(2)9(10)15/h4-5H,3,6H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 295.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82803713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).