N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide

C12H21N5O2 — CID 154210371

IUPACN-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide
SMILESCCCNc1nc(OC)nc(N(CCC)C(C)=O)n1
InChIInChI=1S/C12H21N5O2/c1-5-7-13-10-14-11(16-12(15-10)19-4)17(8-6-2)9(3)18/h5-8H2,1-4H3,(H,13,14,15,16)
InChIKeySJOKWIYLBLQXJX-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.47
Rot. Bonds7

About N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide

N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide (PubChem CID 154210371) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide
PubChem CID154210371
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide
SMILESCCCNc1nc(OC)nc(N(CCC)C(C)=O)n1
InChIInChI=1S/C12H21N5O2/c1-5-7-13-10-14-11(16-12(15-10)19-4)17(8-6-2)9(3)18/h5-8H2,1-4H3,(H,13,14,15,16)
InChIKeySJOKWIYLBLQXJX-UHFFFAOYSA-N
XLogP1.47
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide?
The IUPAC name of N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide (CID 154210371) is N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide.
What is the SMILES notation for N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide?
The canonical SMILES for N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide is CCCNc1nc(OC)nc(N(CCC)C(C)=O)n1.
What is the InChIKey of N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide?
The InChIKey is SJOKWIYLBLQXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-7-13-10-14-11(16-12(15-10)19-4)17(8-6-2)9(3)18/h5-8H2,1-4H3,(H,13,14,15,16).
What are the key properties of N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide?
N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide has a molecular weight of 267.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide is sourced from PubChem (CID 154210371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).