N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine

C12H23N5O2 — CID 55242574

IUPACN'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1nc(OC)nc(OC)n1
InChIInChI=1S/C12H23N5O2/c1-5-9(6-2)17(8-7-13)10-14-11(18-3)16-12(15-10)19-4/h9H,5-8,13H2,1-4H3
InChIKeyDLPREFSCFPDBKC-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.84
Rot. Bonds8

About N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine

N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 55242574) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID55242574
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1nc(OC)nc(OC)n1
InChIInChI=1S/C12H23N5O2/c1-5-9(6-2)17(8-7-13)10-14-11(18-3)16-12(15-10)19-4/h9H,5-8,13H2,1-4H3
InChIKeyDLPREFSCFPDBKC-UHFFFAOYSA-N
XLogP0.84
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine (CID 55242574) is N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCN)c1nc(OC)nc(OC)n1.
What is the InChIKey of N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is DLPREFSCFPDBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-9(6-2)17(8-7-13)10-14-11(18-3)16-12(15-10)19-4/h9H,5-8,13H2,1-4H3.
What are the key properties of N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 269.35 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 55242574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).