2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C31H58ClN7O2 — CID 19090173

IUPAC2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C31H58ClN7O2/c1-13-15-17-36(23-19-28(3,4)38(40-11)29(5,6)20-23)26-33-25(32)34-27(35-26)37(18-16-14-2)24-21-30(7,8)39(41-12)31(9,10)22-24/h23-24H,13-22H2,1-12H3
InChIKeyUCHURYBSEACGOR-UHFFFAOYSA-N
MW596.31 g/mol
LogP6.90
Rot. Bonds12

About 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 19090173) has the molecular formula C31H58ClN7O2 and a molecular weight of 596.31 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID19090173
Molecular FormulaC31H58ClN7O2
Molecular Weight596.31 g/mol
Exact Mass595.43
IUPAC Name2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C31H58ClN7O2/c1-13-15-17-36(23-19-28(3,4)38(40-11)29(5,6)20-23)26-33-25(32)34-27(35-26)37(18-16-14-2)24-21-30(7,8)39(41-12)31(9,10)22-24/h23-24H,13-22H2,1-12H3
InChIKeyUCHURYBSEACGOR-UHFFFAOYSA-N
XLogP6.90
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.31
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-Chloro-N,N'-bis(3-methoxypropyl)-N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine
CID 11970672
N-butyl-4,6-dichloro-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 10916139
2-Chloro-4,6-bis-(2,2,6,6-tetramethyl-4-piperidyl-butylamino)-1,3,5-triazine
CID 11114220
N-butyl-1-[4-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]-6-chloro-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 11699446
2-[N,N-bis(2,2,6,6-tetramethyl-4-piperidyl)amino]-4,6-dichloro-1,3,5-triazine
CID 14365120
6-chloro-2-N,4-N-diethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 14746197
2-Chloro-4,6-bis[N-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino]-1,3,5-triazine
CID 14746198
2-N,4-N-dibutyl-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 15218748
2-chloro-4,6-bis[N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-n-butylamino]-1,3,5-triazine
CID 15218751
2-N,4-N-dibutyl-6-N,6-N-diethyl-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 19768363
2-N,4-N,6-N-tributyl-2-N,4-N,6-N-tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 19905578
2-Chloro-4,6-bis[N-(1,2,2,6,6-pentamethyl-4-piperidyl)amino]-1,3,5-triazine
CID 20272142

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 19090173) is 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)N(OC)C(C)(C)C2)n1)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UCHURYBSEACGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58ClN7O2/c1-13-15-17-36(23-19-28(3,4)38(40-11)29(5,6)20-23)26-33-25(32)34-27(35-26)37(18-16-14-2)24-21-30(7,8)39(41-12)31(9,10)22-24/h23-24H,13-22H2,1-12H3.
What are the key properties of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 596.31 g/mol, XLogP of 6.90, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).