(5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane

C16H24N4O — CID 97475135

IUPAC(5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
SMILESc1cnc(N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)nc1
InChIInChI=1S/C16H24N4O/c1-2-9-19(8-1)14-4-11-21-16(12-14)5-10-20(13-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-,16-/m1/s1
InChIKeyGNJRWELSRSGPHA-GDBMZVCRSA-N
MW288.39 g/mol
LogP1.70
Rot. Bonds2

About (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane

(5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane (PubChem CID 97475135) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
PubChem CID97475135
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
SMILESc1cnc(N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)nc1
InChIInChI=1S/C16H24N4O/c1-2-9-19(8-1)14-4-11-21-16(12-14)5-10-20(13-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-,16-/m1/s1
InChIKeyGNJRWELSRSGPHA-GDBMZVCRSA-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,3aR,6aS)-3-(oxan-4-ylmethoxy)-1-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97386615
1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97409279
1-(3-Methoxypropyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97493602
1-(2-Methoxyethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 118738977
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739784
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746091
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
(3S)-1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95400903
1-[(5R,9R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97474736
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
3-(Cyclopropylmethoxymethyl)-8-propan-2-yl-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 131651894
(3R,5R)-7-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394579

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane?
The IUPAC name of (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane (CID 97475135) is (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane is c1cnc(N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)nc1.
What is the InChIKey of (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane?
The InChIKey is GNJRWELSRSGPHA-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-9-19(8-1)14-4-11-21-16(12-14)5-10-20(13-16)15-17-6-3-7-18-15/h3,6-7,14H,1-2,4-5,8-13H2/t14-,16-/m1/s1.
What are the key properties of (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane?
(5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-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 (5R,9R)-2-pyrimidin-2-yl-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 97475135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).