6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C25H37FN6O — CID 10004232

IUPAC6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(N(C)c2nc(NC3CCCCCC3)nc(N(C)C3CCCCC3)n2)cc1F
InChIInChI=1S/C25H37FN6O/c1-31(19-13-9-6-10-14-19)24-28-23(27-18-11-7-4-5-8-12-18)29-25(30-24)32(2)20-15-16-22(33-3)21(26)17-20/h15-19H,4-14H2,1-3H3,(H,27,28,29,30)
InChIKeyBOOOMOCMDLEIEF-UHFFFAOYSA-N
MW456.61 g/mol
LogP5.69
Rot. Bonds7

About 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine

6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 10004232) has the molecular formula C25H37FN6O and a molecular weight of 456.61 g/mol. Its IUPAC name is 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID10004232
Molecular FormulaC25H37FN6O
Molecular Weight456.61 g/mol
Exact Mass456.30
IUPAC Name6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(N(C)c2nc(NC3CCCCCC3)nc(N(C)C3CCCCC3)n2)cc1F
InChIInChI=1S/C25H37FN6O/c1-31(19-13-9-6-10-14-19)24-28-23(27-18-11-7-4-5-8-12-18)29-25(30-24)32(2)20-15-16-22(33-3)21(26)17-20/h15-19H,4-14H2,1-3H3,(H,27,28,29,30)
InChIKeyBOOOMOCMDLEIEF-UHFFFAOYSA-N
XLogP5.69
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 10004232) is 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine is COc1ccc(N(C)c2nc(NC3CCCCCC3)nc(N(C)C3CCCCC3)n2)cc1F.
What is the InChIKey of 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BOOOMOCMDLEIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37FN6O/c1-31(19-13-9-6-10-14-19)24-28-23(27-18-11-7-4-5-8-12-18)29-25(30-24)32(2)20-15-16-22(33-3)21(26)17-20/h15-19H,4-14H2,1-3H3,(H,27,28,29,30).
What are the key properties of 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 456.61 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-2-N-cyclohexyl-4-N-(3-fluoro-4-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10004232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).