2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine

C15H24ClN5 — CID 114594502

IUPAC2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1CC(C)C(C)N(c2nc(Cl)nc(N3CCCC3)n2)C1
InChIInChI=1S/C15H24ClN5/c1-10-8-11(2)12(3)21(9-10)15-18-13(16)17-14(19-15)20-6-4-5-7-20/h10-12H,4-9H2,1-3H3
InChIKeyMGCPMQBOFQSXDD-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine

2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 114594502) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine
PubChem CID114594502
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine
SMILESCC1CC(C)C(C)N(c2nc(Cl)nc(N3CCCC3)n2)C1
InChIInChI=1S/C15H24ClN5/c1-10-8-11(2)12(3)21(9-10)15-18-13(16)17-14(19-15)20-6-4-5-7-20/h10-12H,4-9H2,1-3H3
InChIKeyMGCPMQBOFQSXDD-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine (CID 114594502) is 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine is CC1CC(C)C(C)N(c2nc(Cl)nc(N3CCCC3)n2)C1.
What is the InChIKey of 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is MGCPMQBOFQSXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-10-8-11(2)12(3)21(9-10)15-18-13(16)17-14(19-15)20-6-4-5-7-20/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine?
2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 309.85 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrrolidin-1-yl-6-(2,3,5-trimethylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 114594502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).