4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one

C18H25FN4O3 — CID 168867311

IUPAC4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC(F)CC2(CCN(c3cc(OC4CCOCC4)ncn3)CC2)N1
InChIInChI=1S/C18H25FN4O3/c19-13-9-16(24)22-18(11-13)3-5-23(6-4-18)15-10-17(21-12-20-15)26-14-1-7-25-8-2-14/h10,12-14H,1-9,11H2,(H,22,24)
InChIKeyWDUIGZDGKFJXJY-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.62
Rot. Bonds3

About 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one

4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 168867311) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID168867311
Molecular FormulaC18H25FN4O3
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Name4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC(F)CC2(CCN(c3cc(OC4CCOCC4)ncn3)CC2)N1
InChIInChI=1S/C18H25FN4O3/c19-13-9-16(24)22-18(11-13)3-5-23(6-4-18)15-10-17(21-12-20-15)26-14-1-7-25-8-2-14/h10,12-14H,1-9,11H2,(H,22,24)
InChIKeyWDUIGZDGKFJXJY-UHFFFAOYSA-N
XLogP1.62
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(4-methyl-1-azabicyclo[3.2.2]nonan-4-yl)-1-[4-(oxan-4-yloxy)pyrimidin-2-yl]piperidine-4-carboxamide
CID 118254862
4-Hydroxy-9-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
CID 168867303
8-(6-Methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869158
1-Ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
CID 131644207
8-(6-Methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
CID 131651352
4-[(6-Propan-2-yloxypyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 66329765
8-(2-Amino-6-isopropoxy-4-pyrimidinyl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70714087
(4aS*,8aR*)-6-(2-amino-6-isopropoxypyrimidin-4-yl)-1-[2-(methylamino)ethyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 70739670
3-[1-(6-Ethoxypyrimidin-4-yl)piperidin-3-yl]propanamide
CID 86797702
2-cyclopentyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 86797720
2-cyclohexyl-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 86797721
(6S)-8-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 96572458

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one (CID 168867311) is 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one is O=C1CC(F)CC2(CCN(c3cc(OC4CCOCC4)ncn3)CC2)N1.
What is the InChIKey of 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is WDUIGZDGKFJXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O3/c19-13-9-16(24)22-18(11-13)3-5-23(6-4-18)15-10-17(21-12-20-15)26-14-1-7-25-8-2-14/h10,12-14H,1-9,11H2,(H,22,24).
What are the key properties of 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one?
4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 364.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-9-[6-(oxan-4-yloxy)pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 168867311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).