[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C16H24N4O3 — CID 110159672

IUPAC[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCO[C@H]1CCN(C(=O)c2cnc(N(C)C)nc2)C[C@@]12CCCO2
InChIInChI=1S/C16H24N4O3/c1-19(2)15-17-9-12(10-18-15)14(21)20-7-5-13(22-3)16(11-20)6-4-8-23-16/h9-10,13H,4-8,11H2,1-3H3/t13-,16-/m0/s1
InChIKeyNEWMYJZIVQEOIL-BBRMVZONSA-N
MW320.39 g/mol
LogP0.95
Rot. Bonds3

About [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 110159672) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID110159672
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCO[C@H]1CCN(C(=O)c2cnc(N(C)C)nc2)C[C@@]12CCCO2
InChIInChI=1S/C16H24N4O3/c1-19(2)15-17-9-12(10-18-15)14(21)20-7-5-13(22-3)16(11-20)6-4-8-23-16/h9-10,13H,4-8,11H2,1-3H3/t13-,16-/m0/s1
InChIKeyNEWMYJZIVQEOIL-BBRMVZONSA-N
XLogP0.95
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110156921
1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 175654805
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159724
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
3-(2-fluorophenyl)-1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 110159674
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186589
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186590
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 110159393
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-pyrrolidin-1-ylethanone
CID 110159396
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 126433395
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110159496

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 110159672) is [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is CO[C@H]1CCN(C(=O)c2cnc(N(C)C)nc2)C[C@@]12CCCO2.
What is the InChIKey of [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is NEWMYJZIVQEOIL-BBRMVZONSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19(2)15-17-9-12(10-18-15)14(21)20-7-5-13(22-3)16(11-20)6-4-8-23-16/h9-10,13H,4-8,11H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
[2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)pyrimidin-5-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 110159672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).