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

C24H35FN6O — CID 10225394

IUPAC6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCC(C)CC3)n2)cc1F
InChIInChI=1S/C24H35FN6O/c1-16-9-11-18(12-10-16)27-23-29-22(26-17-7-5-3-4-6-8-17)30-24(31-23)28-19-13-14-21(32-2)20(25)15-19/h13-18H,3-12H2,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyOCPHFNPVARXODQ-UHFFFAOYSA-N
MW442.58 g/mol
LogP5.89
Rot. Bonds7

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

6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 10225394) has the molecular formula C24H35FN6O and a molecular weight of 442.58 g/mol. Its IUPAC name is 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID10225394
Molecular FormulaC24H35FN6O
Molecular Weight442.58 g/mol
Exact Mass442.29
IUPAC Name6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCC(C)CC3)n2)cc1F
InChIInChI=1S/C24H35FN6O/c1-16-9-11-18(12-10-16)27-23-29-22(26-17-7-5-3-4-6-8-17)30-24(31-23)28-19-13-14-21(32-2)20(25)15-19/h13-18H,3-12H2,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyOCPHFNPVARXODQ-UHFFFAOYSA-N
XLogP5.89
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (CID 10225394) is 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(NC3CCCCCC3)nc(NC3CCC(C)CC3)n2)cc1F.
What is the InChIKey of 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OCPHFNPVARXODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN6O/c1-16-9-11-18(12-10-16)27-23-29-22(26-17-7-5-3-4-6-8-17)30-24(31-23)28-19-13-14-21(32-2)20(25)15-19/h13-18H,3-12H2,1-2H3,(H3,26,27,28,29,30,31).
What are the key properties of 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 442.58 g/mol, XLogP of 5.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-2-N-(3-fluoro-4-methoxyphenyl)-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10225394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).