6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine

C11H18ClN5O2 — CID 110192084

IUPAC6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCCC2OCCO2)n1
InChIInChI=1S/C11H18ClN5O2/c1-2-13-10-15-9(12)16-11(17-10)14-5-3-4-8-18-6-7-19-8/h8H,2-7H2,1H3,(H2,13,14,15,16,17)
InChIKeyHUPOCAZVGIJJAN-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.52
Rot. Bonds7

About 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 110192084) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID110192084
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCCC2OCCO2)n1
InChIInChI=1S/C11H18ClN5O2/c1-2-13-10-15-9(12)16-11(17-10)14-5-3-4-8-18-6-7-19-8/h8H,2-7H2,1H3,(H2,13,14,15,16,17)
InChIKeyHUPOCAZVGIJJAN-UHFFFAOYSA-N
XLogP1.52
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 110192084) is 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCCCC2OCCO2)n1.
What is the InChIKey of 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HUPOCAZVGIJJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-2-13-10-15-9(12)16-11(17-10)14-5-3-4-8-18-6-7-19-8/h8H,2-7H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.75 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[3-(1,3-dioxolan-2-yl)propyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 110192084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).