1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine

C16H26N4O2 — CID 97477318

IUPAC1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine
SMILESCOc1cc(N2CC[C@]3(CCC[C@H](CN(C)C)O3)C2)ncn1
InChIInChI=1S/C16H26N4O2/c1-19(2)10-13-5-4-6-16(22-13)7-8-20(11-16)14-9-15(21-3)18-12-17-14/h9,12-13H,4-8,10-11H2,1-3H3/t13-,16-/m1/s1
InChIKeyXWINPPXAAIBWMM-CZUORRHYSA-N
MW306.41 g/mol
LogP1.56
Rot. Bonds4

About 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine

1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine (PubChem CID 97477318) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine
PubChem CID97477318
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine
SMILESCOc1cc(N2CC[C@]3(CCC[C@H](CN(C)C)O3)C2)ncn1
InChIInChI=1S/C16H26N4O2/c1-19(2)10-13-5-4-6-16(22-13)7-8-20(11-16)14-9-15(21-3)18-12-17-14/h9,12-13H,4-8,10-11H2,1-3H3/t13-,16-/m1/s1
InChIKeyXWINPPXAAIBWMM-CZUORRHYSA-N
XLogP1.56
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine (CID 97477318) is 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine is COc1cc(N2CC[C@]3(CCC[C@H](CN(C)C)O3)C2)ncn1.
What is the InChIKey of 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine?
The InChIKey is XWINPPXAAIBWMM-CZUORRHYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19(2)10-13-5-4-6-16(22-13)7-8-20(11-16)14-9-15(21-3)18-12-17-14/h9,12-13H,4-8,10-11H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine?
1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine has a molecular weight of 306.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,7R)-2-(6-methoxypyrimidin-4-yl)-6-oxa-2-azaspiro[4.5]decan-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97477318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).