8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H26FN5O2 — CID 70716487

IUPAC8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)c1nc(N2CCCC3(CCC(=O)N(CCO)C3)C2)ncc1F
InChIInChI=1S/C17H26FN5O2/c1-21(2)15-13(18)10-19-16(20-15)23-7-3-5-17(12-23)6-4-14(25)22(11-17)8-9-24/h10,24H,3-9,11-12H2,1-2H3
InChIKeyOOUZIAGJJQNPBI-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.88
Rot. Bonds4

About 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70716487) has the molecular formula C17H26FN5O2 and a molecular weight of 351.43 g/mol. Its IUPAC name is 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70716487
Molecular FormulaC17H26FN5O2
Molecular Weight351.43 g/mol
Exact Mass351.21
IUPAC Name8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)c1nc(N2CCCC3(CCC(=O)N(CCO)C3)C2)ncc1F
InChIInChI=1S/C17H26FN5O2/c1-21(2)15-13(18)10-19-16(20-15)23-7-3-5-17(12-23)6-4-14(25)22(11-17)8-9-24/h10,24H,3-9,11-12H2,1-2H3
InChIKeyOOUZIAGJJQNPBI-UHFFFAOYSA-N
XLogP0.88
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13254321
8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 13608253
8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 44292309
2-(3-Hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70707165
8-[(2-Ethylpyrimidin-5-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725983
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
2-(2-Hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70773275
2-(3-Hydroxypropyl)-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70775060
9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
1-{2-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)(methyl)amino]ethyl}piperidin-2-one
CID 50982259
9-(5-Ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70722334
9-[(2-Ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70723909

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70716487) is 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is CN(C)c1nc(N2CCCC3(CCC(=O)N(CCO)C3)C2)ncc1F.
What is the InChIKey of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OOUZIAGJJQNPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5O2/c1-21(2)15-13(18)10-19-16(20-15)23-7-3-5-17(12-23)6-4-14(25)22(11-17)8-9-24/h10,24H,3-9,11-12H2,1-2H3.
What are the key properties of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 351.43 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70716487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).