4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine

C11H18ClN5O2 — CID 63869500

IUPAC4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCOC2CCNCC2)n1
InChIInChI=1S/C11H18ClN5O2/c1-18-11-16-9(12)15-10(17-11)14-6-7-19-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyDYOFTAYZJVJDRL-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.71
Rot. Bonds6

About 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine (PubChem CID 63869500) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine
PubChem CID63869500
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCOC2CCNCC2)n1
InChIInChI=1S/C11H18ClN5O2/c1-18-11-16-9(12)15-10(17-11)14-6-7-19-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyDYOFTAYZJVJDRL-UHFFFAOYSA-N
XLogP0.71
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.71
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

4,6-dimethoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 115355335
2-[[4-methoxy-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58972439
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
5-bromo-4-methoxy-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 106998147
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 80846277
4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62858982
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
5-fluoro-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 104606342
5-bromo-N-(2-piperidin-4-yloxyethyl)pyrimidin-2-amine
CID 63869496
4-chloro-6-methoxy-N-(2-methylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 106996266
4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
CID 62857307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine (CID 63869500) is 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCOC2CCNCC2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine?
The InChIKey is DYOFTAYZJVJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-18-11-16-9(12)15-10(17-11)14-6-7-19-8-2-4-13-5-3-8/h8,13H,2-7H2,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine has a molecular weight of 287.75 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63869500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).