4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine

C13H20ClN5 — CID 80831513

IUPAC4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C13H20ClN5/c1-15-11-16-10(14)17-12(18-11)19-8-6-13(7-9-19)4-2-3-5-13/h2-9H2,1H3,(H,15,16,17,18)
InChIKeyQTTKOPSMYWHECQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.73
Rot. Bonds2

About 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine

4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80831513) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
PubChem CID80831513
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(N2CCC3(CCCC3)CC2)n1
InChIInChI=1S/C13H20ClN5/c1-15-11-16-10(14)17-12(18-11)19-8-6-13(7-9-19)4-2-3-5-13/h2-9H2,1H3,(H,15,16,17,18)
InChIKeyQTTKOPSMYWHECQ-UHFFFAOYSA-N
XLogP2.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80793568
2-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81109320
1-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 80820474
4-chloro-N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746663
4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80833964
4-(4-tert-butylazepan-1-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80837933
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,4-diazepan-5-one
CID 80831100
4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80825081
4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 113485848
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688

Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine (CID 80831513) is 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(N2CCC3(CCCC3)CC2)n1.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is QTTKOPSMYWHECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-15-11-16-10(14)17-12(18-11)19-8-6-13(7-9-19)4-2-3-5-13/h2-9H2,1H3,(H,15,16,17,18).
What are the key properties of 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine?
4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80831513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).