1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C15H23N3O2 — CID 102951343

IUPAC1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1cc(OC)ncn1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H23N3O2/c1-16-14(12-8-13(19-2)18-10-17-12)11-4-7-20-15(9-11)5-3-6-15/h8,10-11,14,16H,3-7,9H2,1-2H3
InChIKeyLFDOGSIPUWWAQM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.10
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine

1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 102951343) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID102951343
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCNC(c1cc(OC)ncn1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H23N3O2/c1-16-14(12-8-13(19-2)18-10-17-12)11-4-7-20-15(9-11)5-3-6-15/h8,10-11,14,16H,3-7,9H2,1-2H3
InChIKeyLFDOGSIPUWWAQM-UHFFFAOYSA-N
XLogP2.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine with MolForge

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Related Compounds

[(6-methoxypyrimidin-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 102953258
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 102951342
[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953442
N-methyl-1-(4-methyl-2-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914962
(6-methoxypyrimidin-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 102950732
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105166211
1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016685
(6-methoxy-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 103348185
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79912066
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113
N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 102951343) is 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is CNC(c1cc(OC)ncn1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is LFDOGSIPUWWAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-14(12-8-13(19-2)18-10-17-12)11-4-7-20-15(9-11)5-3-6-15/h8,10-11,14,16H,3-7,9H2,1-2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 102951343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).