2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H27N5O — CID 103466702

IUPAC2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC(C)(C)CC)nc(OCC)n1
InChIInChI=1S/C14H27N5O/c1-6-9-15-11-17-12(16-10-14(4,5)7-2)19-13(18-11)20-8-3/h6-10H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyUTQYJDNBHGGZAF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.94
Rot. Bonds9

About 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 103466702) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID103466702
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC(C)(C)CC)nc(OCC)n1
InChIInChI=1S/C14H27N5O/c1-6-9-15-11-17-12(16-10-14(4,5)7-2)19-13(18-11)20-8-3/h6-10H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyUTQYJDNBHGGZAF-UHFFFAOYSA-N
XLogP2.94
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80780311
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 103466702) is 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCC(C)(C)CC)nc(OCC)n1.
What is the InChIKey of 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UTQYJDNBHGGZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-6-9-15-11-17-12(16-10-14(4,5)7-2)19-13(18-11)20-8-3/h6-10H2,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 103466702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).