N-butyl-4,6-dichloro-1,3,5-triazin-2-amine

C14H20Cl4N8 — CID 139203727

IUPACN-butyl-4,6-dichloro-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(Cl)nc(Cl)n1.CCCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/2C7H10Cl2N4/c2*1-2-3-4-10-7-12-5(8)11-6(9)13-7/h2*2-4H2,1H3,(H,10,11,12,13)
InChIKeyGXGVOYNYXMPELA-UHFFFAOYSA-N
MW442.18 g/mol
LogP4.78
Rot. Bonds8

About N-butyl-4,6-dichloro-1,3,5-triazin-2-amine

N-butyl-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 139203727) has the molecular formula C14H20Cl4N8 and a molecular weight of 442.18 g/mol. Its IUPAC name is N-butyl-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID139203727
Molecular FormulaC14H20Cl4N8
Molecular Weight442.18 g/mol
Exact Mass440.06
IUPAC NameN-butyl-4,6-dichloro-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(Cl)nc(Cl)n1.CCCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/2C7H10Cl2N4/c2*1-2-3-4-10-7-12-5(8)11-6(9)13-7/h2*2-4H2,1H3,(H,10,11,12,13)
InChIKeyGXGVOYNYXMPELA-UHFFFAOYSA-N
XLogP4.78
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.18
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
CID 134109285
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide
CID 80820182
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
CID 87963058
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4,6-dichloro-1,3,5-triazin-2-amine (CID 139203727) is N-butyl-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4,6-dichloro-1,3,5-triazin-2-amine is CCCCNc1nc(Cl)nc(Cl)n1.CCCCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-butyl-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is GXGVOYNYXMPELA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10Cl2N4/c2*1-2-3-4-10-7-12-5(8)11-6(9)13-7/h2*2-4H2,1H3,(H,10,11,12,13).
What are the key properties of N-butyl-4,6-dichloro-1,3,5-triazin-2-amine?
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 442.18 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 139203727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).