2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

C12H24N6O3 — CID 69402521

IUPAC2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCNc1nc(NCOC)nc(NCOC)n1
InChIInChI=1S/C12H24N6O3/c1-4-5-6-21-9-15-12-17-10(13-7-19-2)16-11(18-12)14-8-20-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyWGZLSEYMHUQQOL-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.09
Rot. Bonds12

About 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 69402521) has the molecular formula C12H24N6O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID69402521
Molecular FormulaC12H24N6O3
Molecular Weight300.36 g/mol
Exact Mass300.19
IUPAC Name2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCNc1nc(NCOC)nc(NCOC)n1
InChIInChI=1S/C12H24N6O3/c1-4-5-6-21-9-15-12-17-10(13-7-19-2)16-11(18-12)14-8-20-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyWGZLSEYMHUQQOL-UHFFFAOYSA-N
XLogP1.09
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
({4-(Dimethylamino)-6-[(methoxymethyl)amino]-1,3,5-triazin-2-yl}oxy)acetonitrile
CID 614000
N,N',N''-Tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 75492
s-Triazine-1,3,5-triamine, N,N',N''-tris(ethoxymethyl)-
CID 3057112
4,6-Bis(2-methylpropoxy)-1,3,5-triazin-2-amine
CID 172447454
2-Butoxy-4,6-bis(ethylamino)-S-triazine
CID 35115
N~2~,N~4~,N~6~-Tris(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20822524
4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859177
N-methyl-4-propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859266
4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80867794
4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80868796
N-methyl-4-propoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80868798

Frequently Asked Questions

What is the IUPAC name of 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 69402521) is 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCCOCNc1nc(NCOC)nc(NCOC)n1.
What is the InChIKey of 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WGZLSEYMHUQQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O3/c1-4-5-6-21-9-15-12-17-10(13-7-19-2)16-11(18-12)14-8-20-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 300.36 g/mol, XLogP of 1.09, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 69402521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).