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

C11H10F2N4 — CID 63869112

IUPAC4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N4/c1-6-15-10(17-11(14)16-6)4-7-2-8(12)5-9(13)3-7/h2-3,5H,4H2,1H3,(H2,14,15,16,17)
InChIKeyCXNZUNIKVGPYCC-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.63
Rot. Bonds2

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

4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 63869112) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID63869112
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H10F2N4/c1-6-15-10(17-11(14)16-6)4-7-2-8(12)5-9(13)3-7/h2-3,5H,4H2,1H3,(H2,14,15,16,17)
InChIKeyCXNZUNIKVGPYCC-UHFFFAOYSA-N
XLogP1.63
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (CID 63869112) is 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is CXNZUNIKVGPYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c1-6-15-10(17-11(14)16-6)4-7-2-8(12)5-9(13)3-7/h2-3,5H,4H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 236.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63869112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).