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

C13H22Cl2N4 — CID 178072208

IUPAC4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
SMILESCCCCCN(CCCCC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H22Cl2N4/c1-3-5-7-9-19(10-8-6-4-2)13-17-11(14)16-12(15)18-13/h3-10H2,1-2H3
InChIKeyAMLYURPRQATGCM-UHFFFAOYSA-N
MW305.25 g/mol
LogP4.37
Rot. Bonds9

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

4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine (PubChem CID 178072208) has the molecular formula C13H22Cl2N4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
PubChem CID178072208
Molecular FormulaC13H22Cl2N4
Molecular Weight305.25 g/mol
Exact Mass304.12
IUPAC Name4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
SMILESCCCCCN(CCCCC)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H22Cl2N4/c1-3-5-7-9-19(10-8-6-4-2)13-17-11(14)16-12(15)18-13/h3-10H2,1-2H3
InChIKeyAMLYURPRQATGCM-UHFFFAOYSA-N
XLogP4.37
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 604297
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368
2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754638
4,6-dichloro-N,N-bis(1,1-dideuteriobutyl)-1,3,5-triazin-2-amine
CID 169438788
6-chloro-2-N,4-N-dimethyl-2-N,4-N-dioctadecyl-1,3,5-triazine-2,4-diamine
CID 3681496
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 66899786
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
4,6-dichloro-N,N-bis(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 55023614
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 139712262
4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124566
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine (CID 178072208) is 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine is CCCCCN(CCCCC)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine?
The InChIKey is AMLYURPRQATGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2N4/c1-3-5-7-9-19(10-8-6-4-2)13-17-11(14)16-12(15)18-13/h3-10H2,1-2H3.
What are the key properties of 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine?
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine has a molecular weight of 305.25 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 178072208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).