2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

C10H19N5O — CID 14877225

IUPAC2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NCC)nc(OC)n1
InChIInChI=1S/C10H19N5O/c1-4-6-7-12-9-13-8(11-5-2)14-10(15-9)16-3/h4-7H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyXVCMRDZRATWRKK-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.52
Rot. Bonds7

About 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 14877225) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID14877225
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(NCC)nc(OC)n1
InChIInChI=1S/C10H19N5O/c1-4-6-7-12-9-13-8(11-5-2)14-10(15-9)16-3/h4-7H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyXVCMRDZRATWRKK-UHFFFAOYSA-N
XLogP1.52
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Prometon
CID 4928
Atraton
CID 15359
Terbumeton
CID 36584
Secbumeton
CID 33443
Simeton
CID 12654
6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
N-Butyl-1,3,5-triazine-2,4,6-triamine
CID 197831
6-Methoxy-N2-methyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 18212
N-(tert-butyl)-N'-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 14651806
2-Methoxy-4-isopropylamino-6-diethylamino-S-triazine
CID 18152
[4-(Butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
CID 657554
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-propyl-
CID 2173744

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 14877225) is 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is CCCCNc1nc(NCC)nc(OC)n1.
What is the InChIKey of 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XVCMRDZRATWRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-6-7-12-9-13-8(11-5-2)14-10(15-9)16-3/h4-7H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 225.30 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14877225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).