4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine

C14H23N5O2 — CID 1219990

IUPAC4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine
SMILESCOc1nc(N2CCCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O2/c1-20-14-16-12(18-6-4-2-3-5-7-18)15-13(17-14)19-8-10-21-11-9-19/h2-11H2,1H3
InChIKeyCOZTVIXWWVOSLW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.10
Rot. Bonds3

About 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine

4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine (PubChem CID 1219990) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine
PubChem CID1219990
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine
SMILESCOc1nc(N2CCCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O2/c1-20-14-16-12(18-6-4-2-3-5-7-18)15-13(17-14)19-8-10-21-11-9-19/h2-11H2,1H3
InChIKeyCOZTVIXWWVOSLW-UHFFFAOYSA-N
XLogP1.10
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
CID 2734059
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)azepane
CID 818684
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
CID 2734060
Ethyl(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
CID 6463463
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
CID 18420027
4-(4-Ethoxy-6-piperidino-1,3,5-triazin-2-YL)morpholine
CID 708104
CID 156661131
CID 156661131
4-Methoxy-6-morpholino-2-trimethylammonio-sym-triazine chloride
CID 11335249
4-[4-(Azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine
CID 121537328
(2S)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine
CID 124626397
(2R)-4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-(difluoromethyl)morpholine
CID 124626398
N-hexyl-4-methoxy-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 3117175

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine (CID 1219990) is 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine is COc1nc(N2CCCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine?
The InChIKey is COZTVIXWWVOSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-20-14-16-12(18-6-4-2-3-5-7-18)15-13(17-14)19-8-10-21-11-9-19/h2-11H2,1H3.
What are the key properties of 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine?
4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine has a molecular weight of 293.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 1219990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).