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

C9H16N4O3 — CID 80866297

IUPAC4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCCCOC)n1
InChIInChI=1S/C9H16N4O3/c1-10-7-11-8(15-3)13-9(12-7)16-6-4-5-14-2/h4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyMRILUVPADPFKGQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.34
Rot. Bonds7

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

4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80866297) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine
PubChem CID80866297
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCCCOC)n1
InChIInChI=1S/C9H16N4O3/c1-10-7-11-8(15-3)13-9(12-7)16-6-4-5-14-2/h4-6H2,1-3H3,(H,10,11,12,13)
InChIKeyMRILUVPADPFKGQ-UHFFFAOYSA-N
XLogP0.34
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 106451460
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-(2,2-difluoroethoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 82009818
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
4-(cyclopropylmethoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867582
4-methoxy-N-methyl-6-(2-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80867250
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82794676
3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80866003
4-methoxy-6-[(3-methoxyphenyl)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80868535
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine (CID 80866297) is 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(OCCCOC)n1.
What is the InChIKey of 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is MRILUVPADPFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-10-7-11-8(15-3)13-9(12-7)16-6-4-5-14-2/h4-6H2,1-3H3,(H,10,11,12,13).
What are the key properties of 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine?
4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 228.25 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80866297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).