9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C14H22N4O2 — CID 138382150

IUPAC9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1cnc(N2CCC3(CC2)CN(C)CCO3)nc1
InChIInChI=1S/C14H22N4O2/c1-17-7-8-20-14(11-17)3-5-18(6-4-14)13-15-9-12(19-2)10-16-13/h9-10H,3-8,11H2,1-2H3
InChIKeyDUCOOVBKSIRRBX-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.79
Rot. Bonds2

About 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 138382150) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID138382150
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1cnc(N2CCC3(CC2)CN(C)CCO3)nc1
InChIInChI=1S/C14H22N4O2/c1-17-7-8-20-14(11-17)3-5-18(6-4-14)13-15-9-12(19-2)10-16-13/h9-10H,3-8,11H2,1-2H3
InChIKeyDUCOOVBKSIRRBX-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 138382150) is 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is COc1cnc(N2CCC3(CC2)CN(C)CCO3)nc1.
What is the InChIKey of 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DUCOOVBKSIRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-7-8-20-14(11-17)3-5-18(6-4-14)13-15-9-12(19-2)10-16-13/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 278.36 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methoxypyrimidin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138382150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).