9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

C14H22N4O2 — CID 97491908

IUPAC9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOc1cc(N2CCC3(CC2)COCCN3C)ncn1
InChIInChI=1S/C14H22N4O2/c1-17-7-8-20-10-14(17)3-5-18(6-4-14)12-9-13(19-2)16-11-15-12/h9,11H,3-8,10H2,1-2H3
InChIKeyWTXVEVWSKIVUIT-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.79
Rot. Bonds2

About 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97491908) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97491908
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOc1cc(N2CCC3(CC2)COCCN3C)ncn1
InChIInChI=1S/C14H22N4O2/c1-17-7-8-20-10-14(17)3-5-18(6-4-14)12-9-13(19-2)16-11-15-12/h9,11H,3-8,10H2,1-2H3
InChIKeyWTXVEVWSKIVUIT-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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Related Compounds

(R)-N-(6-methoxypyrimidin-4-yl)-4H-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octan]-2-amine
CID 52920232
4-(6-Methoxypyrimidin-4-yl)morpholine
CID 3242788
N-(6-methoxypyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 72709190
(4aS,9aS)-7-(6-methoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 97511034
(3R*,4R*)-1-(2-amino-6-isopropoxy-4-pyrimidinyl)-4-(4-morpholinyl)-3-piperidinol
CID 56870035
4-[7-(6-Methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonan-2-yl]morpholine
CID 97451181
9-(6-Methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471367
9-(6-Methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471375
(4aR,9aR)-4-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 97511094
8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
9-(6-Methoxypyrimidin-4-yl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118740703
3-(Methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 118744836

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97491908) is 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is COc1cc(N2CCC3(CC2)COCCN3C)ncn1.
What is the InChIKey of 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is WTXVEVWSKIVUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-7-8-20-10-14(17)3-5-18(6-4-14)12-9-13(19-2)16-11-15-12/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
9-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-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-(6-methoxypyrimidin-4-yl)-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97491908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).