(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C20H25FN4O — CID 97494863

IUPAC(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cnc(N2CCOC[C@]3(CCCN(Cc4ccccc4)C3)C2)nc1
InChIInChI=1S/C20H25FN4O/c21-18-11-22-19(23-12-18)25-9-10-26-16-20(15-25)7-4-8-24(14-20)13-17-5-2-1-3-6-17/h1-3,5-6,11-12H,4,7-10,13-16H2/t20-/m0/s1
InChIKeyHDSYWCFNRFXFFN-FQEVSTJZSA-N
MW356.44 g/mol
LogP2.73
Rot. Bonds3

About (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494863) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97494863
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cnc(N2CCOC[C@]3(CCCN(Cc4ccccc4)C3)C2)nc1
InChIInChI=1S/C20H25FN4O/c21-18-11-22-19(23-12-18)25-9-10-26-16-20(15-25)7-4-8-24(14-20)13-17-5-2-1-3-6-17/h1-3,5-6,11-12H,4,7-10,13-16H2/t20-/m0/s1
InChIKeyHDSYWCFNRFXFFN-FQEVSTJZSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
(5R)-9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97186800
9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 72838357
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651615
(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494732
7-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 131648835
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953
(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384999

Frequently Asked Questions

What is the IUPAC name of (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494863) is (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1cnc(N2CCOC[C@]3(CCCN(Cc4ccccc4)C3)C2)nc1.
What is the InChIKey of (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is HDSYWCFNRFXFFN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-18-11-22-19(23-12-18)25-9-10-26-16-20(15-25)7-4-8-24(14-20)13-17-5-2-1-3-6-17/h1-3,5-6,11-12H,4,7-10,13-16H2/t20-/m0/s1.
What are the key properties of (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 356.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).