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

C11H10ClFN4O2 — CID 62861592

IUPACN-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(F)c(Cl)c2)nc(OC)n1
InChIInChI=1S/C11H10ClFN4O2/c1-18-10-15-9(16-11(17-10)19-2)14-6-3-4-8(13)7(12)5-6/h3-5H,1-2H3,(H,14,15,16,17)
InChIKeyJQAGNTIOOFJCMP-UHFFFAOYSA-N
MW284.68 g/mol
LogP2.42
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 62861592) has the molecular formula C11H10ClFN4O2 and a molecular weight of 284.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID62861592
Molecular FormulaC11H10ClFN4O2
Molecular Weight284.68 g/mol
Exact Mass284.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(F)c(Cl)c2)nc(OC)n1
InChIInChI=1S/C11H10ClFN4O2/c1-18-10-15-9(16-11(17-10)19-2)14-6-3-4-8(13)7(12)5-6/h3-5H,1-2H3,(H,14,15,16,17)
InChIKeyJQAGNTIOOFJCMP-UHFFFAOYSA-N
XLogP2.42
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
N-(4-fluoro-3-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 114841199
N-(3-chloro-4-fluorophenyl)-4,6-dihydrazinylpyrimidin-2-amine
CID 139976962
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-fluorobenzonitrile
CID 80826966
N-(3-chloro-4-fluorophenyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112636601
6-tert-butyl-2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 167767387
2-N-(3-chloro-4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918492
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
2-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904156

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 62861592) is N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(Nc2ccc(F)c(Cl)c2)nc(OC)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is JQAGNTIOOFJCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2/c1-18-10-15-9(16-11(17-10)19-2)14-6-3-4-8(13)7(12)5-6/h3-5H,1-2H3,(H,14,15,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 284.68 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62861592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).