4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine

C17H23N5O — CID 779532

IUPAC4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCc2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H23N5O/c1-23-17-21-15(18-12-13-8-4-2-5-9-13)20-16(22-17)19-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,18,19,20,21,22)
InChIKeyXVDUMGFVUFPELF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.24
Rot. Bonds6

About 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine

4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 779532) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID779532
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCc2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C17H23N5O/c1-23-17-21-15(18-12-13-8-4-2-5-9-13)20-16(22-17)19-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,18,19,20,21,22)
InChIKeyXVDUMGFVUFPELF-UHFFFAOYSA-N
XLogP3.24
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 779532) is 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine is COc1nc(NCc2ccccc2)nc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XVDUMGFVUFPELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-23-17-21-15(18-12-13-8-4-2-5-9-13)20-16(22-17)19-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine?
4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 313.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 779532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).