2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine

C16H22N6 — CID 136554738

IUPAC2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NCC2CCCCC2c2ccccc2)n1
InChIInChI=1S/C16H22N6/c17-14-20-15(18)22-16(21-14)19-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H5,17,18,19,20,21,22)
InChIKeySPZYQFSIRNMFCM-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.42
Rot. Bonds4

About 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 136554738) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID136554738
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(NCC2CCCCC2c2ccccc2)n1
InChIInChI=1S/C16H22N6/c17-14-20-15(18)22-16(21-14)19-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H5,17,18,19,20,21,22)
InChIKeySPZYQFSIRNMFCM-UHFFFAOYSA-N
XLogP2.42
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 136554738) is 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(NCC2CCCCC2c2ccccc2)n1.
What is the InChIKey of 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SPZYQFSIRNMFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c17-14-20-15(18)22-16(21-14)19-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H5,17,18,19,20,21,22).
What are the key properties of 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 298.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 136554738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).