8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C18H19ClN4O2 — CID 58134913

IUPAC8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(Oc2cncnc2)=NO3)cc1
InChIInChI=1S/C18H19ClN4O2/c19-15-3-1-14(2-4-15)12-23-7-5-18(6-8-23)9-17(22-25-18)24-16-10-20-13-21-11-16/h1-4,10-11,13H,5-9,12H2
InChIKeyFUMCDUZNVCJHHI-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.28
Rot. Bonds3

About 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 58134913) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID58134913
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESClc1ccc(CN2CCC3(CC2)CC(Oc2cncnc2)=NO3)cc1
InChIInChI=1S/C18H19ClN4O2/c19-15-3-1-14(2-4-15)12-23-7-5-18(6-8-23)9-17(22-25-18)24-16-10-20-13-21-11-16/h1-4,10-11,13H,5-9,12H2
InChIKeyFUMCDUZNVCJHHI-UHFFFAOYSA-N
XLogP3.28
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 58134913) is 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is Clc1ccc(CN2CCC3(CC2)CC(Oc2cncnc2)=NO3)cc1.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is FUMCDUZNVCJHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-15-3-1-14(2-4-15)12-23-7-5-18(6-8-23)9-17(22-25-18)24-16-10-20-13-21-11-16/h1-4,10-11,13H,5-9,12H2.
What are the key properties of 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 358.83 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]-3-pyrimidin-5-yloxy-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 58134913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).