2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C14H18N6 — CID 10516199

IUPAC2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H18N6/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10H2,(H3,15,16,17,18,19)
InChIKeyQXPOMFHSKDIDKY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.19
Rot. Bonds3

About 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 10516199) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID10516199
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H18N6/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10H2,(H3,15,16,17,18,19)
InChIKeyQXPOMFHSKDIDKY-UHFFFAOYSA-N
XLogP2.19
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 10516199) is 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QXPOMFHSKDIDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-10H2,(H3,15,16,17,18,19).
What are the key properties of 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10516199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).