4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C20H27N7O3 — CID 58508214

IUPAC4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc(OC2CCCC2)n1
InChIInChI=1S/C20H27N7O3/c1-2-4-15(3-1)30-20-21-6-5-16(22-20)17-23-18(26-7-11-28-12-8-26)25-19(24-17)27-9-13-29-14-10-27/h5-6,15H,1-4,7-14H2
InChIKeyCKUSJYKQWQRSQF-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.32
Rot. Bonds5

About 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 58508214) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID58508214
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC Name4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc(OC2CCCC2)n1
InChIInChI=1S/C20H27N7O3/c1-2-4-15(3-1)30-20-21-6-5-16(22-20)17-23-18(26-7-11-28-12-8-26)25-19(24-17)27-9-13-29-14-10-27/h5-6,15H,1-4,7-14H2
InChIKeyCKUSJYKQWQRSQF-UHFFFAOYSA-N
XLogP1.32
TPSA98.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 58508214) is 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is c1cc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nc(OC2CCCC2)n1.
What is the InChIKey of 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is CKUSJYKQWQRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c1-2-4-15(3-1)30-20-21-6-5-16(22-20)17-23-18(26-7-11-28-12-8-26)25-19(24-17)27-9-13-29-14-10-27/h5-6,15H,1-4,7-14H2.
What are the key properties of 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 413.48 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopentyloxypyrimidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 58508214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).