2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

C16H21N5 — CID 139676139

IUPAC2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCC2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N5/c17-15-19-14(13-9-5-2-6-10-13)20-16(21-15)18-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,17,18,19,20,21)
InChIKeyCSANMBBDSJFENW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.11
Rot. Bonds4

About 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine

2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 139676139) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID139676139
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCC2CCCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H21N5/c17-15-19-14(13-9-5-2-6-10-13)20-16(21-15)18-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,17,18,19,20,21)
InChIKeyCSANMBBDSJFENW-UHFFFAOYSA-N
XLogP3.11
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine (CID 139676139) is 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is Nc1nc(NCC2CCCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CSANMBBDSJFENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-15-19-14(13-9-5-2-6-10-13)20-16(21-15)18-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,17,18,19,20,21).
What are the key properties of 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139676139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).