2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine

C12H19ClN4O — CID 62857566

IUPAC2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCC(CC)C2)n1
InChIInChI=1S/C12H19ClN4O/c1-3-9-6-5-7-17(8-9)11-14-10(13)15-12(16-11)18-4-2/h9H,3-8H2,1-2H3
InChIKeyMUBFXTDHLVYOTQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine

2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 62857566) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
PubChem CID62857566
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCC(CC)C2)n1
InChIInChI=1S/C12H19ClN4O/c1-3-9-6-5-7-17(8-9)11-14-10(13)15-12(16-11)18-4-2/h9H,3-8H2,1-2H3
InChIKeyMUBFXTDHLVYOTQ-UHFFFAOYSA-N
XLogP2.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62859553
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107228423
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
CID 62857405
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862485
2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 62862834
2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 102963297
N-[[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-3-yl]methyl]propan-2-amine
CID 63241854
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108657
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
CID 64597022
7-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096304
2-[1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 107229222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine (CID 62857566) is 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine is CCOc1nc(Cl)nc(N2CCCC(CC)C2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is MUBFXTDHLVYOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-9-6-5-7-17(8-9)11-14-10(13)15-12(16-11)18-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 270.76 g/mol, XLogP of 2.55, 4 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-(3-ethylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62857566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).