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

C12H12ClFN4O — CID 62858339

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4O/c1-18(7-8-3-5-9(14)6-4-8)11-15-10(13)16-12(17-11)19-2/h3-6H,7H2,1-2H3
InChIKeyZNOPZXWBPLTEMQ-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.31
Rot. Bonds4

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

4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62858339) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID62858339
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C12H12ClFN4O/c1-18(7-8-3-5-9(14)6-4-8)11-15-10(13)16-12(17-11)19-2/h3-6H,7H2,1-2H3
InChIKeyZNOPZXWBPLTEMQ-UHFFFAOYSA-N
XLogP2.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 62858339) is 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is ZNOPZXWBPLTEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-18(7-8-3-5-9(14)6-4-8)11-15-10(13)16-12(17-11)19-2/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 282.71 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).