4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C17H21FN4O2 — CID 97372287

IUPAC4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(Cc4ccco4)CC3)C2)nc1
InChIInChI=1S/C17H21FN4O2/c18-14-10-19-16(20-11-14)22-7-9-24-17(13-22)3-5-21(6-4-17)12-15-2-1-8-23-15/h1-2,8,10-11H,3-7,9,12-13H2
InChIKeyHULBMVHZEOABFV-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.08
Rot. Bonds3

About 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97372287) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97372287
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(Cc4ccco4)CC3)C2)nc1
InChIInChI=1S/C17H21FN4O2/c18-14-10-19-16(20-11-14)22-7-9-24-17(13-22)3-5-21(6-4-17)12-15-2-1-8-23-15/h1-2,8,10-11H,3-7,9,12-13H2
InChIKeyHULBMVHZEOABFV-UHFFFAOYSA-N
XLogP2.08
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-(5-fluoropyrimidin-2-yl)-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171697207
9-(5-fluoropyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450776
[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(furan-3-yl)methanone
CID 97451019
(6S)-4-(furan-2-ylmethyl)-8-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492059
(4R)-9-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98895334
9-(furan-2-ylmethyl)-N-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 131648640
7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane
CID 138050031
(3R)-8-(furan-2-ylmethyl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371301
(6R)-8-(5-fluoropyrimidin-2-yl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492263
(6S)-8-(5-fluoropyrimidin-2-yl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492264
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97372287) is 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cnc(N2CCOC3(CCN(Cc4ccco4)CC3)C2)nc1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is HULBMVHZEOABFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c18-14-10-19-16(20-11-14)22-7-9-24-17(13-22)3-5-21(6-4-17)12-15-2-1-8-23-15/h1-2,8,10-11H,3-7,9,12-13H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 332.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).