4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H19ClN4O — CID 106197331

IUPAC4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCCC2=CCCC2)n1
InChIInChI=1S/C13H19ClN4O/c1-9(2)19-13-17-11(14)16-12(18-13)15-8-7-10-5-3-4-6-10/h5,9H,3-4,6-8H2,1-2H3,(H,15,16,17,18)
InChIKeyHAORDHYFITYQGV-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.22
Rot. Bonds6

About 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 106197331) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID106197331
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCCC2=CCCC2)n1
InChIInChI=1S/C13H19ClN4O/c1-9(2)19-13-17-11(14)16-12(18-13)15-8-7-10-5-3-4-6-10/h5,9H,3-4,6-8H2,1-2H3,(H,15,16,17,18)
InChIKeyHAORDHYFITYQGV-UHFFFAOYSA-N
XLogP3.22
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106038270
4-chloro-N-(3-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863715
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863973
4-chloro-N-[2-(oxolan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 55125282
4-chloro-N-(3-methylsulfonylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863284
4-chloro-N-hex-5-ynyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106214554
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 114101580
4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907
4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863657
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112943234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 106197331) is 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(NCCC2=CCCC2)n1.
What is the InChIKey of 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is HAORDHYFITYQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9(2)19-13-17-11(14)16-12(18-13)15-8-7-10-5-3-4-6-10/h5,9H,3-4,6-8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 282.77 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106197331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).