1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide

C14H24N6O3 — CID 175658448

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)C)CCN1c1nc(OC)nc(OC)n1
InChIInChI=1S/C14H24N6O3/c1-9(2)19-6-7-20(10(8-19)11(21)15-3)12-16-13(22-4)18-14(17-12)23-5/h9-10H,6-8H2,1-5H3,(H,15,21)
InChIKeyAGTPJSISXZLFQY-UHFFFAOYSA-N
MW324.39 g/mol
LogP-0.47
Rot. Bonds5

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 175658448) has the molecular formula C14H24N6O3 and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID175658448
Molecular FormulaC14H24N6O3
Molecular Weight324.39 g/mol
Exact Mass324.19
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)C)CCN1c1nc(OC)nc(OC)n1
InChIInChI=1S/C14H24N6O3/c1-9(2)19-6-7-20(10(8-19)11(21)15-3)12-16-13(22-4)18-14(17-12)23-5/h9-10H,6-8H2,1-5H3,(H,15,21)
InChIKeyAGTPJSISXZLFQY-UHFFFAOYSA-N
XLogP-0.47
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide (CID 175658448) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide is CNC(=O)C1CN(C(C)C)CCN1c1nc(OC)nc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is AGTPJSISXZLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O3/c1-9(2)19-6-7-20(10(8-19)11(21)15-3)12-16-13(22-4)18-14(17-12)23-5/h9-10H,6-8H2,1-5H3,(H,15,21).
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 324.39 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 175658448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).