4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C15H26ClN5 — CID 106028150

IUPAC4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCC(CCC)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H26ClN5/c1-3-5-9-12(8-4-2)17-14-18-13(16)19-15(20-14)21-10-6-7-11-21/h12H,3-11H2,1-2H3,(H,17,18,19,20)
InChIKeyKSEDJCYOYJGRBI-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.90
Rot. Bonds8

About 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106028150) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106028150
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCC(CCC)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H26ClN5/c1-3-5-9-12(8-4-2)17-14-18-13(16)19-15(20-14)21-10-6-7-11-21/h12H,3-11H2,1-2H3,(H,17,18,19,20)
InChIKeyKSEDJCYOYJGRBI-UHFFFAOYSA-N
XLogP3.90
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-ethylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107817609
4-chloro-N-(5-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 63925934
4-chloro-N-pent-4-yn-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 114156802
N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300
2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949836
2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 62865148
4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 64644222
4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine
CID 62869584
2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 106659250
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 106028150) is 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCCCC(CCC)Nc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KSEDJCYOYJGRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5/c1-3-5-9-12(8-4-2)17-14-18-13(16)19-15(20-14)21-10-6-7-11-21/h12H,3-11H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 311.86 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106028150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).