1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

C15H23N3O2S — CID 102951342

IUPAC1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(c1cc(OC)ncn1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H23N3O2S/c1-16-14(12-7-13(19-2)18-10-17-12)11-3-5-20-15(8-11)4-6-21-9-15/h7,10-11,14,16H,3-6,8-9H2,1-2H3
InChIKeyOSUOKNOCCOHUKI-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.05
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine

1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (PubChem CID 102951342) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
PubChem CID102951342
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
SMILESCNC(c1cc(OC)ncn1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H23N3O2S/c1-16-14(12-7-13(19-2)18-10-17-12)11-3-5-20-15(8-11)4-6-21-9-15/h7,10-11,14,16H,3-6,8-9H2,1-2H3
InChIKeyOSUOKNOCCOHUKI-UHFFFAOYSA-N
XLogP2.05
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102951343
(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 102950732
[(6-methoxypyrimidin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 102953258
[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953442
N-methyl-1-(3-methylphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914625
1-(5-ethylfuran-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017869
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017725
1-(5-bromothiophen-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914771
[(5-methylpyrazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325943
1-(3-chloro-4-pyridinyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105170766
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79909488
[(5-fluoro-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248353

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine (CID 102951342) is 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is CNC(c1cc(OC)ncn1)C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is OSUOKNOCCOHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-16-14(12-7-13(19-2)18-10-17-12)11-3-5-20-15(8-11)4-6-21-9-15/h7,10-11,14,16H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine?
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 309.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 102951342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).