2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C25H31N5O3S — CID 90360906

IUPAC2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESc1cc(C2=NCCO2)ccc1OC1CCN(c2nc3c(c(NC4CCOCC4)n2)SCC3)CC1
InChIInChI=1S/C25H31N5O3S/c1-3-19(4-2-17(1)24-26-10-15-32-24)33-20-5-11-30(12-6-20)25-28-21-9-16-34-22(21)23(29-25)27-18-7-13-31-14-8-18/h1-4,18,20H,5-16H2,(H,27,28,29)
InChIKeySCUXDCDMXSSQBW-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.54
Rot. Bonds6

About 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 90360906) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID90360906
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Name2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESc1cc(C2=NCCO2)ccc1OC1CCN(c2nc3c(c(NC4CCOCC4)n2)SCC3)CC1
InChIInChI=1S/C25H31N5O3S/c1-3-19(4-2-17(1)24-26-10-15-32-24)33-20-5-11-30(12-6-20)25-28-21-9-16-34-22(21)23(29-25)27-18-7-13-31-14-8-18/h1-4,18,20H,5-16H2,(H,27,28,29)
InChIKeySCUXDCDMXSSQBW-UHFFFAOYSA-N
XLogP3.54
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 90360906) is 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is c1cc(C2=NCCO2)ccc1OC1CCN(c2nc3c(c(NC4CCOCC4)n2)SCC3)CC1.
What is the InChIKey of 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SCUXDCDMXSSQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-3-19(4-2-17(1)24-26-10-15-32-24)33-20-5-11-30(12-6-20)25-28-21-9-16-34-22(21)23(29-25)27-18-7-13-31-14-8-18/h1-4,18,20H,5-16H2,(H,27,28,29).
What are the key properties of 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 481.62 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90360906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).