1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane

C17H19FN4 — CID 131660553

IUPAC1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
SMILESFc1ccc(CN2CCC23CCN(c2ncccn2)C3)cc1
InChIInChI=1S/C17H19FN4/c18-15-4-2-14(3-5-15)12-22-11-7-17(22)6-10-21(13-17)16-19-8-1-9-20-16/h1-5,8-9H,6-7,10-13H2
InChIKeyUIEDIYBXDGIJKB-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.47
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane

1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane (PubChem CID 131660553) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
PubChem CID131660553
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
SMILESFc1ccc(CN2CCC23CCN(c2ncccn2)C3)cc1
InChIInChI=1S/C17H19FN4/c18-15-4-2-14(3-5-15)12-22-11-7-17(22)6-10-21(13-17)16-19-8-1-9-20-16/h1-5,8-9H,6-7,10-13H2
InChIKeyUIEDIYBXDGIJKB-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
CID 134079041
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane
CID 134072675
1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane
CID 134072680
1-[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]butan-1-one
CID 155900811
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
1-[(4-fluorophenyl)methyl]-7-(1H-pyrazol-5-ylmethyl)-1,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856367
9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 173316726
1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
CID 97409300
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
(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 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane (CID 131660553) is 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane is Fc1ccc(CN2CCC23CCN(c2ncccn2)C3)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
The InChIKey is UIEDIYBXDGIJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c18-15-4-2-14(3-5-15)12-22-11-7-17(22)6-10-21(13-17)16-19-8-1-9-20-16/h1-5,8-9H,6-7,10-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane?
1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane has a molecular weight of 298.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 131660553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).