4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine

C9H15ClN4O3 — CID 103176504

IUPAC4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCOCCCOCCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H15ClN4O3/c1-15-3-2-4-16-5-6-17-9-13-7(10)12-8(11)14-9/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyXROAMVCXBMQVQK-UHFFFAOYSA-N
MW262.70 g/mol
LogP0.54
Rot. Bonds8

About 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine

4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine (PubChem CID 103176504) has the molecular formula C9H15ClN4O3 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
PubChem CID103176504
Molecular FormulaC9H15ClN4O3
Molecular Weight262.70 g/mol
Exact Mass262.08
IUPAC Name4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCOCCCOCCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H15ClN4O3/c1-15-3-2-4-16-5-6-17-9-13-7(10)12-8(11)14-9/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyXROAMVCXBMQVQK-UHFFFAOYSA-N
XLogP0.54
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
CID 87430180
4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 113427586
4-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3,5-triazin-2-amine
CID 104568131
4-chloro-6-hexoxy-1,3,5-triazin-2-amine
CID 80861147
2-chloro-4-[2-(3-methoxypropoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 103177489
4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176493
4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104561349
4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 80877207
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
4-chloro-6-[2-[cyclopropyl(methyl)amino]ethoxy]-1,3,5-triazin-2-amine
CID 102741266
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine (CID 103176504) is 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine is COCCCOCCOc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine?
The InChIKey is XROAMVCXBMQVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3/c1-15-3-2-4-16-5-6-17-9-13-7(10)12-8(11)14-9/h2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine has a molecular weight of 262.70 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103176504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).