2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine

C15H24ClN5 — CID 11893825

IUPAC2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
SMILESC[C@H]1CCCCN1c1nc(Cl)nc(N2CCCC[C@@H]2C)n1
InChIInChI=1S/C15H24ClN5/c1-11-7-3-5-9-20(11)14-17-13(16)18-15(19-14)21-10-6-4-8-12(21)2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyVMLHWBORKYUJSA-RYUDHWBXSA-N
MW309.84 g/mol
LogP3.28
Rot. Bonds2

About 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine

2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine (PubChem CID 11893825) has the molecular formula C15H24ClN5 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
PubChem CID11893825
Molecular FormulaC15H24ClN5
Molecular Weight309.84 g/mol
Exact Mass309.17
IUPAC Name2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
SMILESC[C@H]1CCCCN1c1nc(Cl)nc(N2CCCC[C@@H]2C)n1
InChIInChI=1S/C15H24ClN5/c1-11-7-3-5-9-20(11)14-17-13(16)18-15(19-14)21-10-6-4-8-12(21)2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyVMLHWBORKYUJSA-RYUDHWBXSA-N
XLogP3.28
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 62869868
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
CID 59168274
2-chloro-4-[(2S)-2-methylpiperidin-1-yl]quinazoline
CID 42149937
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide
CID 62868559
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
2-chloro-6-(2-methylpiperidin-1-yl)-7H-purine
CID 104787123
[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542053
[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 62865295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine (CID 11893825) is 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine is C[C@H]1CCCCN1c1nc(Cl)nc(N2CCCC[C@@H]2C)n1.
What is the InChIKey of 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine?
The InChIKey is VMLHWBORKYUJSA-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-11-7-3-5-9-20(11)14-17-13(16)18-15(19-14)21-10-6-4-8-12(21)2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine?
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine has a molecular weight of 309.84 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 11893825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).