4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H18N4O2 — CID 80861761

IUPAC4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(OC2CCCC2)n1
InChIInChI=1S/C11H18N4O2/c1-7(2)16-10-13-9(12)14-11(15-10)17-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyPZMYXXJDQJWHHJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.56
Rot. Bonds4

About 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80861761) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80861761
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(OC2CCCC2)n1
InChIInChI=1S/C11H18N4O2/c1-7(2)16-10-13-9(12)14-11(15-10)17-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyPZMYXXJDQJWHHJ-UHFFFAOYSA-N
XLogP1.56
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80861761) is 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(OC2CCCC2)n1.
What is the InChIKey of 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is PZMYXXJDQJWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)16-10-13-9(12)14-11(15-10)17-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).