4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine

C11H17ClN4O — CID 80861079

IUPAC4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OC2CCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-2-7-13-10-14-9(12)15-11(16-10)17-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyGUUUYKZQRWTFOX-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.67
Rot. Bonds5

About 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80861079) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80861079
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(OC2CCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-2-7-13-10-14-9(12)15-11(16-10)17-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyGUUUYKZQRWTFOX-UHFFFAOYSA-N
XLogP2.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-cyclohexyloxy-N-methyl-1,3,5-triazin-2-amine
CID 80858811
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574
2-chloro-4-cyclohexyloxy-6-ethoxy-1,3,5-triazine
CID 62858018
4-chloro-N-ethyl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-amine
CID 102608799
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
4-chloro-6-(2-methylbutan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 80862183
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
4-ethoxy-6-(1-methylpiperidin-4-yl)oxy-N-propyl-1,3,5-triazin-2-amine
CID 80879716
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine (CID 80861079) is 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(OC2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is GUUUYKZQRWTFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-2-7-13-10-14-9(12)15-11(16-10)17-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).