9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

C19H24N4O2 — CID 118960378

IUPAC9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cc(Oc2ccccc2)nc(N2CCC3(CC2)CNCCO3)n1
InChIInChI=1S/C19H24N4O2/c1-15-13-17(25-16-5-3-2-4-6-16)22-18(21-15)23-10-7-19(8-11-23)14-20-9-12-24-19/h2-6,13,20H,7-12,14H2,1H3
InChIKeyNLLQBYDAGGXFCP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.54
Rot. Bonds3

About 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118960378) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118960378
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cc(Oc2ccccc2)nc(N2CCC3(CC2)CNCCO3)n1
InChIInChI=1S/C19H24N4O2/c1-15-13-17(25-16-5-3-2-4-6-16)22-18(21-15)23-10-7-19(8-11-23)14-20-9-12-24-19/h2-6,13,20H,7-12,14H2,1H3
InChIKeyNLLQBYDAGGXFCP-UHFFFAOYSA-N
XLogP2.54
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960402
9-[4-(3,5-difluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960358
9-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane;hydrochloride
CID 118960498
9-[6-(3-methylphenoxy)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 145044534
2-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-4-phenoxybenzonitrile
CID 118960496
tert-butyl 9-[4-(3-fluorophenoxy)-6-methylpyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 118960409
4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine
CID 154844888
9-[2-fluoro-3-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118960372
5-[[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 154871336
9-[4,5-difluoro-2-(3-fluorophenoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane;hydrochloride
CID 118960478
2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine
CID 154850968
4-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxybenzoic acid
CID 71563644

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118960378) is 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1cc(Oc2ccccc2)nc(N2CCC3(CC2)CNCCO3)n1.
What is the InChIKey of 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is NLLQBYDAGGXFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-13-17(25-16-5-3-2-4-6-16)22-18(21-15)23-10-7-19(8-11-23)14-20-9-12-24-19/h2-6,13,20H,7-12,14H2,1H3.
What are the key properties of 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 340.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-6-phenoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118960378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).