7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane

C20H25FN4O — CID 118745159

IUPAC7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CCCN(c4ncc(F)cn4)C3)C2)cc1
InChIInChI=1S/C20H25FN4O/c1-26-18-5-3-16(4-6-18)13-24-10-8-20(14-24)7-2-9-25(15-20)19-22-11-17(21)12-23-19/h3-6,11-12H,2,7-10,13-15H2,1H3
InChIKeyZIKWRZCTULIYOD-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.12
Rot. Bonds4

About 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane

7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 118745159) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID118745159
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCOc1ccc(CN2CCC3(CCCN(c4ncc(F)cn4)C3)C2)cc1
InChIInChI=1S/C20H25FN4O/c1-26-18-5-3-16(4-6-18)13-24-10-8-20(14-24)7-2-9-25(15-20)19-22-11-17(21)12-23-19/h3-6,11-12H,2,7-10,13-15H2,1H3
InChIKeyZIKWRZCTULIYOD-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(5-fluoropyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 131648835
2-[(4-methoxyphenyl)methyl]-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449653
(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 42593843
2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 134077441
(6S)-2-[(4-methoxyphenyl)methyl]-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494777
(5S)-2-(pyridin-4-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97483918
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane (CID 118745159) is 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane is COc1ccc(CN2CCC3(CCCN(c4ncc(F)cn4)C3)C2)cc1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is ZIKWRZCTULIYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-26-18-5-3-16(4-6-18)13-24-10-8-20(14-24)7-2-9-25(15-20)19-22-11-17(21)12-23-19/h3-6,11-12H,2,7-10,13-15H2,1H3.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane?
7-(5-fluoropyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 356.44 g/mol, XLogP of 3.12, 4 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-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118745159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).