4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H29FN6O2 — CID 72876397

IUPAC4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(c1ncc(F)c(N3CCOCC3)n1)CCN2C
InChIInChI=1S/C19H29FN6O2/c1-23-6-5-19(4-3-16(23)27)14-26(8-7-24(19)2)18-21-13-15(20)17(22-18)25-9-11-28-12-10-25/h13H,3-12,14H2,1-2H3
InChIKeyLOUXHBNOJYINLV-UHFFFAOYSA-N
MW392.48 g/mol
LogP0.59
Rot. Bonds2

About 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72876397) has the molecular formula C19H29FN6O2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72876397
Molecular FormulaC19H29FN6O2
Molecular Weight392.48 g/mol
Exact Mass392.23
IUPAC Name4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCC2(CCC1=O)CN(c1ncc(F)c(N3CCOCC3)n1)CCN2C
InChIInChI=1S/C19H29FN6O2/c1-23-6-5-19(4-3-16(23)27)14-26(8-7-24(19)2)18-21-13-15(20)17(22-18)25-9-11-28-12-10-25/h13H,3-12,14H2,1-2H3
InChIKeyLOUXHBNOJYINLV-UHFFFAOYSA-N
XLogP0.59
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

9-(2-Methoxyethyl)-1-methyl-4-[2-(methylthio)pyrimidin-4-yl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70728895
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493741
9-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 118739626
N~4~-butyl-N~4~-methyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165778
Azepan-1-yl-[1-(4-morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165819
N~4~-methyl-1-(4-morpholino-5-pyrimidinyl)-N~4~-propyl-4-piperidinecarboxamide
CID 53165824
1-{2-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)(methyl)amino]ethyl}piperidin-2-one
CID 50982259
9-[(2-Ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70723909
9-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765931
5-fluoro-N,N-dimethyl-2-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]pyrimidin-4-amine
CID 72883574
(6S)-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195421
1-[4-[[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 50975283

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72876397) is 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCC2(CCC1=O)CN(c1ncc(F)c(N3CCOCC3)n1)CCN2C.
What is the InChIKey of 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is LOUXHBNOJYINLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN6O2/c1-23-6-5-19(4-3-16(23)27)14-26(8-7-24(19)2)18-21-13-15(20)17(22-18)25-9-11-28-12-10-25/h13H,3-12,14H2,1-2H3.
What are the key properties of 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 392.48 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72876397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).