N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine

C12H20ClN5 — CID 535393

IUPACN-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-12(2,3)17-10-14-9(13)15-11(16-10)18-7-5-4-6-8-18/h4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyNWUZIYBHFAYYKA-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.73
Rot. Bonds2

About N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine

N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 535393) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID535393
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC NameN-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C12H20ClN5/c1-12(2,3)17-10-14-9(13)15-11(16-10)18-7-5-4-6-8-18/h4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyNWUZIYBHFAYYKA-UHFFFAOYSA-N
XLogP2.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138
1,3,5-Triazine-2,4-diamine, N,N,N',N'-tetramethyl-6-(1-piperidinyl)-
CID 969866
N-tert-Butyl-6-chloro-N'-cyclohexyl-[1,3,5]triazine-2,4-diamine
CID 535317
s-Triazine, 2,4-bis(ethylamino)-6-piperidino-
CID 204414
6-(Piperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 220907
2-N,4-N-ditert-butyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 535383
N-(tert-butyl)-N'-ethyl-6-(1-piperidinyl)-1,3,5-triazine-2,4-diamine
CID 974634
N2,N4-diisopropyl-6-(1-piperidyl)-1,3,5-triazine-2,4-diamine
CID 7589310
2,4-Dichloro-6-(N-(2,2,6,6-tetramethyl-4-piperidinyl)butylamino)-1,3,5-triazine
CID 6454726
6-(1-piperidyl)-N2,N4-dipropyl-1,3,5-triazine-2,4-diamine
CID 46854064
(Tert-butyl){4-[(tert-butyl)amino]-6-piperazinyl(1,3,5-triazin-2-yl)}amine
CID 3348110
N~4~,N~6~-di-tert-butyl-N~2~,N~2~-diethyl-1,3,5-triazine-2,4,6-triamine
CID 678233

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 535393) is N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine is CC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NWUZIYBHFAYYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-12(2,3)17-10-14-9(13)15-11(16-10)18-7-5-4-6-8-18/h4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine?
N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 269.78 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 N-tert-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 535393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).