2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine

C14H23N5O3 — CID 50956205

IUPAC2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C14H23N5O3/c1-20-13-15-12(16-14(17-13)21-2)19-7-5-18(6-8-19)11-3-9-22-10-4-11/h11H,3-10H2,1-2H3
InChIKeyVKJWUKXJZOTBAG-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.19
Rot. Bonds4

About 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine

2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine (PubChem CID 50956205) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
PubChem CID50956205
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C14H23N5O3/c1-20-13-15-12(16-14(17-13)21-2)19-7-5-18(6-8-19)11-3-9-22-10-4-11/h11H,3-10H2,1-2H3
InChIKeyVKJWUKXJZOTBAG-UHFFFAOYSA-N
XLogP0.19
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]morpholine
CID 172905606
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171298
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 67190024
1-cyclopropylsulfonyl-4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1,4-diazepane
CID 154583464
4-methoxy-N-methyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80823279
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
CID 62857405
4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine
CID 4550609
(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
CID 11335249
4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80799026

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine (CID 50956205) is 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine is COc1nc(OC)nc(N2CCN(C3CCOCC3)CC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine?
The InChIKey is VKJWUKXJZOTBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-20-13-15-12(16-14(17-13)21-2)19-7-5-18(6-8-19)11-3-9-22-10-4-11/h11H,3-10H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine?
2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine has a molecular weight of 309.37 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 50956205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).