4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C11H10ClFN4O — CID 62859359

IUPAC4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C11H10ClFN4O/c1-17(8-5-3-4-7(13)6-8)10-14-9(12)15-11(16-10)18-2/h3-6H,1-2H3
InChIKeyJFKMOOMDXXORIY-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.44
Rot. Bonds3

About 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62859359) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID62859359
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C11H10ClFN4O/c1-17(8-5-3-4-7(13)6-8)10-14-9(12)15-11(16-10)18-2/h3-6H,1-2H3
InChIKeyJFKMOOMDXXORIY-UHFFFAOYSA-N
XLogP2.44
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863481
4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 62858681
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 62863477
4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 55124750
2-chloro-6,7-difluoro-N-(3-fluorophenyl)-N-methylquinazolin-4-amine;ethane
CID 156800556
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80817157
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 62983235
4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 107541895
4-chloro-N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62857670
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 62983233
N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858843

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 62859359) is 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(C)c2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is JFKMOOMDXXORIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-17(8-5-3-4-7(13)6-8)10-14-9(12)15-11(16-10)18-2/h3-6H,1-2H3.
What are the key properties of 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 268.68 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).