(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one

C16H23FN4O2 — CID 97484841

IUPAC(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CC[C@@]12CCCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C16H23FN4O2/c1-23-10-9-21-14(22)3-5-16(21)4-2-7-20(8-6-16)15-18-11-13(17)12-19-15/h11-12H,2-10H2,1H3/t16-/m1/s1
InChIKeyUGRCESYVVAMMLI-MRXNPFEDSA-N
MW322.38 g/mol
LogP1.61
Rot. Bonds4

About (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one

(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97484841) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97484841
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CC[C@@]12CCCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C16H23FN4O2/c1-23-10-9-21-14(22)3-5-16(21)4-2-7-20(8-6-16)15-18-11-13(17)12-19-15/h11-12H,2-10H2,1H3/t16-/m1/s1
InChIKeyUGRCESYVVAMMLI-MRXNPFEDSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
8-(5-methylpyrimidin-2-yl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397069
1-(2-methoxyethyl)-9-methylsulfonyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131661831
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
1-(2-methoxyethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493743
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
(5S)-9-cyclopropylsulfonyl-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484856
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
1-(2-methoxyethyl)-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131663353
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078829
8-(5-fluoropyrimidin-2-yl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744025

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 97484841) is (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one is COCCN1C(=O)CC[C@@]12CCCN(c1ncc(F)cn1)CC2.
What is the InChIKey of (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is UGRCESYVVAMMLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-23-10-9-21-14(22)3-5-16(21)4-2-7-20(8-6-16)15-18-11-13(17)12-19-15/h11-12H,2-10H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
(5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 322.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97484841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).