4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine

C13H14ClN5O — CID 115375403

IUPAC4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
SMILESCc1cncc(-c2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C13H14ClN5O/c1-9-6-10(8-15-7-9)11-16-12(14)18-13(17-11)19-2-4-20-5-3-19/h6-8H,2-5H2,1H3
InChIKeyJOFLEAQZNRLCBE-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.73
Rot. Bonds2

About 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 115375403) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
PubChem CID115375403
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
SMILESCc1cncc(-c2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C13H14ClN5O/c1-9-6-10(8-15-7-9)11-16-12(14)18-13(17-11)19-2-4-20-5-3-19/h6-8H,2-5H2,1H3
InChIKeyJOFLEAQZNRLCBE-UHFFFAOYSA-N
XLogP1.73
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine (CID 115375403) is 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine is Cc1cncc(-c2nc(Cl)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is JOFLEAQZNRLCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-9-6-10(8-15-7-9)11-16-12(14)18-13(17-11)19-2-4-20-5-3-19/h6-8H,2-5H2,1H3.
What are the key properties of 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 291.74 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 115375403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).