4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H13ClF2N4O — CID 82802523

IUPAC4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccc(F)c(Nc2nc(Cl)nc(OC(C)C)n2)c1F
InChIInChI=1S/C13H13ClF2N4O/c1-6(2)21-13-19-11(14)18-12(20-13)17-10-8(15)5-4-7(3)9(10)16/h4-6H,1-3H3,(H,17,18,19,20)
InChIKeyMBEUDEDVGRPIPB-UHFFFAOYSA-N
MW314.72 g/mol
LogP3.64
Rot. Bonds4

About 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 82802523) has the molecular formula C13H13ClF2N4O and a molecular weight of 314.72 g/mol. Its IUPAC name is 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID82802523
Molecular FormulaC13H13ClF2N4O
Molecular Weight314.72 g/mol
Exact Mass314.07
IUPAC Name4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccc(F)c(Nc2nc(Cl)nc(OC(C)C)n2)c1F
InChIInChI=1S/C13H13ClF2N4O/c1-6(2)21-13-19-11(14)18-12(20-13)17-10-8(15)5-4-7(3)9(10)16/h4-6H,1-3H3,(H,17,18,19,20)
InChIKeyMBEUDEDVGRPIPB-UHFFFAOYSA-N
XLogP3.64
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82819504
N-(3-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547878
N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548188
N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547837
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067
4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864106
N-(2,6-difluoro-3-methylphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 82822031
4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63550284
2-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 82798611
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
2-N-(2,6-difluoro-3-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82803713

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 82802523) is 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1ccc(F)c(Nc2nc(Cl)nc(OC(C)C)n2)c1F.
What is the InChIKey of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is MBEUDEDVGRPIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N4O/c1-6(2)21-13-19-11(14)18-12(20-13)17-10-8(15)5-4-7(3)9(10)16/h4-6H,1-3H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 314.72 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 82802523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).