9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H19FN4O2 — CID 162634781

IUPAC9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ncnc(N2CCC3(CC2)CNC(=O)CO3)c1F
InChIInChI=1S/C14H19FN4O2/c1-2-10-12(15)13(18-9-17-10)19-5-3-14(4-6-19)8-16-11(20)7-21-14/h9H,2-8H2,1H3,(H,16,20)
InChIKeyHHLIXBQEMDITFP-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.66
Rot. Bonds2

About 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162634781) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID162634781
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1ncnc(N2CCC3(CC2)CNC(=O)CO3)c1F
InChIInChI=1S/C14H19FN4O2/c1-2-10-12(15)13(18-9-17-10)19-5-3-14(4-6-19)8-16-11(20)7-21-14/h9H,2-8H2,1H3,(H,16,20)
InChIKeyHHLIXBQEMDITFP-UHFFFAOYSA-N
XLogP0.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Ethoxyacetyl)-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56879436
2-({4-[6-(1-Pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}carbonyl)morpholine
CID 70754172
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidino]-2-methoxy-1-ethanone
CID 71836281
(2S)-4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
CID 95137623
N-[2-(4,6-Dimethylpyrimidin-2-YL)ethyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 121504117
(6S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-6-[[(4-ethyl-5-methylpyrimidin-2-yl)amino]methyl]morpholin-3-one
CID 125168632
6-ethyl-5-fluoro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 103879716
3-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103879802
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 103879954
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103880038
6-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 103880098
2-[2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106239215

Frequently Asked Questions

What is the IUPAC name of 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162634781) is 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCc1ncnc(N2CCC3(CC2)CNC(=O)CO3)c1F.
What is the InChIKey of 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HHLIXBQEMDITFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-2-10-12(15)13(18-9-17-10)19-5-3-14(4-6-19)8-16-11(20)7-21-14/h9H,2-8H2,1H3,(H,16,20).
What are the key properties of 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 294.33 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-ethyl-5-fluoropyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162634781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).