(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane

C16H24N4O — CID 97371319

IUPAC(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)nc1
InChIInChI=1S/C16H24N4O/c1-2-9-19(8-1)14-12-16(21-13-14)4-10-20(11-5-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-/m1/s1
InChIKeyVULUGUNNJZXOLP-CQSZACIVSA-N
MW288.39 g/mol
LogP1.70
Rot. Bonds2

About (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane

(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371319) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371319
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)nc1
InChIInChI=1S/C16H24N4O/c1-2-9-19(8-1)14-12-16(21-13-14)4-10-20(11-5-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-/m1/s1
InChIKeyVULUGUNNJZXOLP-CQSZACIVSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 97385579
8-(5-ethylpyrimidin-2-yl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155848807
3-(4-methylpiperazin-1-yl)-8-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 131641802
1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 155879884
(3S)-3-(pyrazin-2-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 125022560
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
(3R)-8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371301
3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071270
8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449517
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
(3R)-3-(4-methylpiperazin-1-yl)-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97372136
(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
CID 167264877

Frequently Asked Questions

What is the IUPAC name of (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane (CID 97371319) is (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane is c1cnc(N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)nc1.
What is the InChIKey of (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VULUGUNNJZXOLP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-9-19(8-1)14-12-16(21-13-14)4-10-20(11-5-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-/m1/s1.
What are the key properties of (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 288.39 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).