4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C13H20ClN5 — CID 113485848

IUPAC4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC1(Nc2nc(Cl)nc(N3CCCCC3)n2)CCC1
InChIInChI=1S/C13H20ClN5/c1-13(6-5-7-13)18-11-15-10(14)16-12(17-11)19-8-3-2-4-9-19/h2-9H2,1H3,(H,15,16,17,18)
InChIKeyBRFZVIMPXVHSNQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.87
Rot. Bonds3

About 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 113485848) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID113485848
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC1(Nc2nc(Cl)nc(N3CCCCC3)n2)CCC1
InChIInChI=1S/C13H20ClN5/c1-13(6-5-7-13)18-11-15-10(14)16-12(17-11)19-8-3-2-4-9-19/h2-9H2,1H3,(H,15,16,17,18)
InChIKeyBRFZVIMPXVHSNQ-UHFFFAOYSA-N
XLogP2.87
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 113485848) is 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is CC1(Nc2nc(Cl)nc(N3CCCCC3)n2)CCC1.
What is the InChIKey of 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BRFZVIMPXVHSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-13(6-5-7-13)18-11-15-10(14)16-12(17-11)19-8-3-2-4-9-19/h2-9H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 113485848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).