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

C12H22N6 — CID 23292948

IUPAC2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H22N6/c1-2-3-7-14-11-15-10(13)16-12(17-11)18-8-5-4-6-9-18/h2-9H2,1H3,(H3,13,14,15,16,17)
InChIKeyIUKWPHJCRCOMNQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.66
Rot. Bonds5

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

2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23292948) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23292948
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H22N6/c1-2-3-7-14-11-15-10(13)16-12(17-11)18-8-5-4-6-9-18/h2-9H2,1H3,(H3,13,14,15,16,17)
InChIKeyIUKWPHJCRCOMNQ-UHFFFAOYSA-N
XLogP1.66
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23292948) is 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CCCCNc1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is IUKWPHJCRCOMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-2-3-7-14-11-15-10(13)16-12(17-11)18-8-5-4-6-9-18/h2-9H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23292948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).