4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine

C10H18N4O — CID 21312

IUPAC4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(C)nc(NCC)n1
InChIInChI=1S/C10H18N4O/c1-4-6-7-15-10-13-8(3)12-9(14-10)11-5-2/h4-7H2,1-3H3,(H,11,12,13,14)
InChIKeyDCOORNZXFCKEKZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.79
Rot. Bonds6

About 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine

4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine (PubChem CID 21312) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine
PubChem CID21312
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine
SMILESCCCCOc1nc(C)nc(NCC)n1
InChIInChI=1S/C10H18N4O/c1-4-6-7-15-10-13-8(3)12-9(14-10)11-5-2/h4-7H2,1-3H3,(H,11,12,13,14)
InChIKeyDCOORNZXFCKEKZ-UHFFFAOYSA-N
XLogP1.79
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-
CID 160779
4-Ethoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine
CID 21311
N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
1,3,5-Triazin-2-amine, 4-ethoxy-N,6-diethyl-
CID 23295
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
1,3,5-Triazin-2-amine, N-ethyl-4-methoxy-6-propyl-
CID 199905
4-Ethoxy-6-ethyl-N-methyl-1,3,5-triazin-2-amine
CID 201842
1,3,5-Triazin-2-amine, 4-(chloromethyl)-6-ethoxy-N-ethyl-
CID 199907
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-N-(1-methylethyl)-
CID 199910
1,3,5-Triazin-2-amine, N,4-diethyl-6-(1-methylethoxy)-
CID 3044741
6-methyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 33379
2-Butoxy-4,6-bis(ethylamino)-S-triazine
CID 35115

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine (CID 21312) is 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine is CCCCOc1nc(C)nc(NCC)n1.
What is the InChIKey of 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is DCOORNZXFCKEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-6-7-15-10-13-8(3)12-9(14-10)11-5-2/h4-7H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine?
4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 210.28 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 21312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).