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

C11H9ClF2N4O — CID 55129476

IUPAC4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9ClF2N4O/c1-19-11-17-9(12)16-10(18-11)15-5-6-2-3-7(13)4-8(6)14/h2-4H,5H2,1H3,(H,15,16,17,18)
InChIKeyBKIHCAABYBRRMR-UHFFFAOYSA-N
MW286.67 g/mol
LogP2.42
Rot. Bonds4

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

4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 55129476) has the molecular formula C11H9ClF2N4O and a molecular weight of 286.67 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID55129476
Molecular FormulaC11H9ClF2N4O
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC Name4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9ClF2N4O/c1-19-11-17-9(12)16-10(18-11)15-5-6-2-3-7(13)4-8(6)14/h2-4H,5H2,1H3,(H,15,16,17,18)
InChIKeyBKIHCAABYBRRMR-UHFFFAOYSA-N
XLogP2.42
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine (CID 55129476) is 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCc2ccc(F)cc2F)n1.
What is the InChIKey of 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is BKIHCAABYBRRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O/c1-19-11-17-9(12)16-10(18-11)15-5-6-2-3-7(13)4-8(6)14/h2-4H,5H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 286.67 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4-difluorophenyl)methyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55129476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).