2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine

C14H27N5O2 — CID 114944769

IUPAC2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NCC(C)(C)OCC)n1
InChIInChI=1S/C14H27N5O2/c1-6-9-20-13-18-11(15-7-2)17-12(19-13)16-10-14(4,5)21-8-3/h6-10H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyADVAGNDXCWVVPU-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.32
Rot. Bonds10

About 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 114944769) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID114944769
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NCC(C)(C)OCC)n1
InChIInChI=1S/C14H27N5O2/c1-6-9-20-13-18-11(15-7-2)17-12(19-13)16-10-14(4,5)21-8-3/h6-10H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyADVAGNDXCWVVPU-UHFFFAOYSA-N
XLogP2.32
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-ethoxy-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114944805
N-ethyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861141
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 114944712
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80826231

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 114944769) is 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(NCC(C)(C)OCC)n1.
What is the InChIKey of 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ADVAGNDXCWVVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-6-9-20-13-18-11(15-7-2)17-12(19-13)16-10-14(4,5)21-8-3/h6-10H2,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 297.40 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114944769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).