6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine

C11H20ClN5O2 — CID 18906

IUPAC6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(Cl)nc(NCCCOC)n1
InChIInChI=1S/C11H20ClN5O2/c1-18-7-3-5-13-10-15-9(12)16-11(17-10)14-6-4-8-19-2/h3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyTYMRJKKKYZIDFH-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.42
Rot. Bonds10

About 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 18906) has the molecular formula C11H20ClN5O2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
PubChem CID18906
Molecular FormulaC11H20ClN5O2
Molecular Weight289.77 g/mol
Exact Mass289.13
IUPAC Name6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(Cl)nc(NCCCOC)n1
InChIInChI=1S/C11H20ClN5O2/c1-18-7-3-5-13-10-15-9(12)16-11(17-10)14-6-4-8-19-2/h3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyTYMRJKKKYZIDFH-UHFFFAOYSA-N
XLogP1.42
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
Secbumeton
CID 33443
2,4-Bis((3-methoxypropyl)amino)-6-(methylthio)-s-triazine
CID 13305
6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-propyl-
CID 2173744
Ena-001
CID 57340959
6-Ethoxy-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 35306
Ammiline
CID 186157
s-Triazine, 2,4-bis(ethylamino)-6-isopropoxy-
CID 3057068
Mesoprazine
CID 3032414
6-chloro-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 18304

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine (CID 18906) is 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine is COCCCNc1nc(Cl)nc(NCCCOC)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TYMRJKKKYZIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O2/c1-18-7-3-5-13-10-15-9(12)16-11(17-10)14-6-4-8-19-2/h3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.77 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(3-methoxypropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).