2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine

C14H23N5O2 — CID 63257412

IUPAC2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(C3CCCN3)CC2)n1
InChIInChI=1S/C14H23N5O2/c1-20-13-16-12(17-14(18-13)21-2)19-8-5-10(6-9-19)11-4-3-7-15-11/h10-11,15H,3-9H2,1-2H3
InChIKeyNTFVSBAVFHMCIS-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.86
Rot. Bonds4

About 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine

2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 63257412) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
PubChem CID63257412
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(C3CCCN3)CC2)n1
InChIInChI=1S/C14H23N5O2/c1-20-13-16-12(17-14(18-13)21-2)19-8-5-10(6-9-19)11-4-3-7-15-11/h10-11,15H,3-9H2,1-2H3
InChIKeyNTFVSBAVFHMCIS-UHFFFAOYSA-N
XLogP0.86
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
1-[5-(ethoxymethyl)-1H-1,2,4-triazol-3-yl]-4-pyrrolidin-2-ylpiperidine
CID 102793786
3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204667
5-methoxy-2-methyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 106660829
5-methoxy-2-(3-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 114600863
1-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanone
CID 63844978
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-ethylpiperidin-4-amine
CID 62861936
3-methyl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257237
4-[3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
CID 102793742
4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 63257362

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine (CID 63257412) is 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine is COc1nc(OC)nc(N2CCC(C3CCCN3)CC2)n1.
What is the InChIKey of 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is NTFVSBAVFHMCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-20-13-16-12(17-14(18-13)21-2)19-8-5-10(6-9-19)11-4-3-7-15-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine?
2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 293.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 63257412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).