6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione

C10H9FN4O2 — CID 170608077

IUPAC6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCN1C(=O)N(c2ncc(F)cn2)C(=O)C12CC2
InChIInChI=1S/C10H9FN4O2/c1-14-9(17)15(7(16)10(14)2-3-10)8-12-4-6(11)5-13-8/h4-5H,2-3H2,1H3
InChIKeyXNFUPNPYZMNNKC-UHFFFAOYSA-N
MW236.21 g/mol
LogP0.55
Rot. Bonds1

About 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione

6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 170608077) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID170608077
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC Name6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCN1C(=O)N(c2ncc(F)cn2)C(=O)C12CC2
InChIInChI=1S/C10H9FN4O2/c1-14-9(17)15(7(16)10(14)2-3-10)8-12-4-6(11)5-13-8/h4-5H,2-3H2,1H3
InChIKeyXNFUPNPYZMNNKC-UHFFFAOYSA-N
XLogP0.55
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione with MolForge

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Related Compounds

5-[(5-Bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 47002013
2-(5-Fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 131638423
2-[2-(5-fluoropyrimidin-2-yl)-9-methyl-10-oxo-2,6,9-triazaspiro[4.5]decan-6-yl]-N,N-dimethylacetamide
CID 131647528
2-(5-Fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
CID 131653923
(4S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-propylpyrrolidin-2-one
CID 164632969
1-Tert-butyl-1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidin-1-ium-4-carboxylate
CID 87547409
1-(5-Fluoropyrimidin-2-yl)-3-methyl-1-(2-methylpropyl)-2-oxoimidazolidin-1-ium-4-carboxylate
CID 87547411
2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
CID 140625295
(5S)-1-(2-chloro-5-fluoropyrimidin-4-yl)-5-propan-2-ylimidazolidine-2,4-dione
CID 141492790
4-Amino-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-one
CID 172249079
7-(2-Chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one
CID 172608362
7-(2-Chloro-5-fluoropyrimidin-4-yl)-4-ethyl-4,7-diazaspiro[2.5]octan-5-one
CID 172608393

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 170608077) is 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione is CN1C(=O)N(c2ncc(F)cn2)C(=O)C12CC2.
What is the InChIKey of 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is XNFUPNPYZMNNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-14-9(17)15(7(16)10(14)2-3-10)8-12-4-6(11)5-13-8/h4-5H,2-3H2,1H3.
What are the key properties of 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 236.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoropyrimidin-2-yl)-4-methyl-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 170608077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).