5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine

C14H18N6 — CID 138050658

IUPAC5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine
SMILESCc1nnc(N2CCC(c3ncccn3)CC2)nc1C
InChIInChI=1S/C14H18N6/c1-10-11(2)18-19-14(17-10)20-8-4-12(5-9-20)13-15-6-3-7-16-13/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyMMPXVLFRLDYFQM-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.66
Rot. Bonds2

About 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine

5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine (PubChem CID 138050658) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine
PubChem CID138050658
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine
SMILESCc1nnc(N2CCC(c3ncccn3)CC2)nc1C
InChIInChI=1S/C14H18N6/c1-10-11(2)18-19-14(17-10)20-8-4-12(5-9-20)13-15-6-3-7-16-13/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyMMPXVLFRLDYFQM-UHFFFAOYSA-N
XLogP1.66
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine?
The IUPAC name of 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine (CID 138050658) is 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine is Cc1nnc(N2CCC(c3ncccn3)CC2)nc1C.
What is the InChIKey of 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine?
The InChIKey is MMPXVLFRLDYFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10-11(2)18-19-14(17-10)20-8-4-12(5-9-20)13-15-6-3-7-16-13/h3,6-7,12H,4-5,8-9H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine?
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine has a molecular weight of 270.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 138050658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).