7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane

C17H21FN4O — CID 118746787

IUPAC7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CCN(Cc4ccoc4)C3)C2)nc1
InChIInChI=1S/C17H21FN4O/c18-15-8-19-16(20-9-15)22-5-1-3-17(13-22)4-6-21(12-17)10-14-2-7-23-11-14/h2,7-9,11H,1,3-6,10,12-13H2
InChIKeyCWWBLIRHEJZCPW-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.70
Rot. Bonds3

About 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane

7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane (PubChem CID 118746787) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane
PubChem CID118746787
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CCN(Cc4ccoc4)C3)C2)nc1
InChIInChI=1S/C17H21FN4O/c18-15-8-19-16(20-9-15)22-5-1-3-17(13-22)4-6-21(12-17)10-14-2-7-23-11-14/h2,7-9,11H,1,3-6,10,12-13H2
InChIKeyCWWBLIRHEJZCPW-UHFFFAOYSA-N
XLogP2.70
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 162675972
2-[2-(furan-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]-N-hydroxypyrimidine-5-carboxamide;hydrochloride
CID 166629016
2-(Furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
CID 3233499
1-(Furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45831214
[2-(5-Fluoropyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 97392917
[2-(5-Ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
CID 97472714
Furan-3-yl-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472730
[9-(5-Fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 118740815
7-(Furan-3-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118741057
8-(furan-3-ylmethyl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118743778
[9-(5-Fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylfuran-3-yl)methanone
CID 118744695
Furan-3-yl-[2-(pyrimidine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-7-yl]methanone
CID 172436802

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane (CID 118746787) is 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane is Fc1cnc(N2CCCC3(CCN(Cc4ccoc4)C3)C2)nc1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is CWWBLIRHEJZCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-15-8-19-16(20-9-15)22-5-1-3-17(13-22)4-6-21(12-17)10-14-2-7-23-11-14/h2,7-9,11H,1,3-6,10,12-13H2.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane?
7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 316.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118746787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).