(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane

C16H23N3O2 — CID 124521959

IUPAC(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
SMILESc1cnc(N2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)nc1
InChIInChI=1S/C16H23N3O2/c1-5-16(9-14(11-21-16)20-10-13-3-4-13)12-19(8-1)15-17-6-2-7-18-15/h2,6-7,13-14H,1,3-5,8-12H2/t14-,16-/m0/s1
InChIKeyJLYOVFCXUJFPJU-HOCLYGCPSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds4

About (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane

(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane (PubChem CID 124521959) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
PubChem CID124521959
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
SMILESc1cnc(N2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)nc1
InChIInChI=1S/C16H23N3O2/c1-5-16(9-14(11-21-16)20-10-13-3-4-13)12-19(8-1)15-17-6-2-7-18-15/h2,6-7,13-14H,1,3-5,8-12H2/t14-,16-/m0/s1
InChIKeyJLYOVFCXUJFPJU-HOCLYGCPSA-N
XLogP2.03
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 97489632
3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
CID 131652504
(8R)-8-(cyclopropylmethoxy)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124804313
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155844223
(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97485654
3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071270
(3S,5S)-3-(cyclopropylmethoxy)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419713
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419485
[(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-2-pyridinyl)methanone
CID 124792191
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 97419705
[(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 124813665
(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide
CID 124802411

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane (CID 124521959) is (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane is c1cnc(N2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)nc1.
What is the InChIKey of (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is JLYOVFCXUJFPJU-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-16(9-14(11-21-16)20-10-13-3-4-13)12-19(8-1)15-17-6-2-7-18-15/h2,6-7,13-14H,1,3-5,8-12H2/t14-,16-/m0/s1.
What are the key properties of (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 289.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 124521959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).