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

C11H17ClN4O — CID 706599

IUPAC2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCC[C@H]2C)n1
InChIInChI=1S/C11H17ClN4O/c1-3-17-11-14-9(12)13-10(15-11)16-7-5-4-6-8(16)2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCXKWFXSFHJFFBZ-MRVPVSSYSA-N
MW256.74 g/mol
LogP2.30
Rot. Bonds3

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

2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine (PubChem CID 706599) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine
PubChem CID706599
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCC[C@H]2C)n1
InChIInChI=1S/C11H17ClN4O/c1-3-17-11-14-9(12)13-10(15-11)16-7-5-4-6-8(16)2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCXKWFXSFHJFFBZ-MRVPVSSYSA-N
XLogP2.30
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine (CID 706599) is 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine is CCOc1nc(Cl)nc(N2CCCC[C@H]2C)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine?
The InChIKey is CXKWFXSFHJFFBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-3-17-11-14-9(12)13-10(15-11)16-7-5-4-6-8(16)2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine?
2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine has a molecular weight of 256.74 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-[(2R)-2-methylpiperidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 706599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).