4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C13H24N4O3 — CID 106669255

IUPAC4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OCCC(C)(C)OC)n1
InChIInChI=1S/C13H24N4O3/c1-6-8-19-11-15-10(14-4)16-12(17-11)20-9-7-13(2,3)18-5/h6-9H2,1-5H3,(H,14,15,16,17)
InChIKeyDTMLENVBTZSWFQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.90
Rot. Bonds9

About 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 106669255) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID106669255
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OCCC(C)(C)OC)n1
InChIInChI=1S/C13H24N4O3/c1-6-8-19-11-15-10(14-4)16-12(17-11)20-9-7-13(2,3)18-5/h6-9H2,1-5H3,(H,14,15,16,17)
InChIKeyDTMLENVBTZSWFQ-UHFFFAOYSA-N
XLogP1.90
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861625
N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine
CID 106669087
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80871130
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 106669255) is 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(OCCC(C)(C)OC)n1.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is DTMLENVBTZSWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-6-8-19-11-15-10(14-4)16-12(17-11)20-9-7-13(2,3)18-5/h6-9H2,1-5H3,(H,14,15,16,17).
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106669255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).