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

C8H9ClF2N4 — CID 138469157

IUPAC4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(NC2CC(F)(F)C2)n1
InChIInChI=1S/C8H9ClF2N4/c1-4-12-6(9)15-7(13-4)14-5-2-8(10,11)3-5/h5H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyNFWWEDYYYIFPAN-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.04
Rot. Bonds2

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

4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 138469157) has the molecular formula C8H9ClF2N4 and a molecular weight of 234.64 g/mol. Its IUPAC name is 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID138469157
Molecular FormulaC8H9ClF2N4
Molecular Weight234.64 g/mol
Exact Mass234.05
IUPAC Name4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(NC2CC(F)(F)C2)n1
InChIInChI=1S/C8H9ClF2N4/c1-4-12-6(9)15-7(13-4)14-5-2-8(10,11)3-5/h5H,2-3H2,1H3,(H,12,13,14,15)
InChIKeyNFWWEDYYYIFPAN-UHFFFAOYSA-N
XLogP2.04
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine (CID 138469157) is 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine is Cc1nc(Cl)nc(NC2CC(F)(F)C2)n1.
What is the InChIKey of 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is NFWWEDYYYIFPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N4/c1-4-12-6(9)15-7(13-4)14-5-2-8(10,11)3-5/h5H,2-3H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine?
4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 234.64 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3-difluorocyclobutyl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 138469157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).