(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H18FN5O2 — CID 124881194

IUPAC(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCc1ncnc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1F
InChIInChI=1S/C14H18FN5O2/c1-2-9-10(15)11(18-7-17-9)16-6-8-4-3-5-14(8)12(21)19-13(22)20-14/h7-8H,2-6H2,1H3,(H,16,17,18)(H2,19,20,21,22)/t8-,14+/m0/s1
InChIKeyBSXXINTZHYKKBG-RMLUDKJBSA-N
MW307.33 g/mol
LogP0.97
Rot. Bonds4

About (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 124881194) has the molecular formula C14H18FN5O2 and a molecular weight of 307.33 g/mol. Its IUPAC name is (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID124881194
Molecular FormulaC14H18FN5O2
Molecular Weight307.33 g/mol
Exact Mass307.14
IUPAC Name(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCc1ncnc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1F
InChIInChI=1S/C14H18FN5O2/c1-2-9-10(15)11(18-7-17-9)16-6-8-4-3-5-14(8)12(21)19-13(22)20-14/h7-8H,2-6H2,1H3,(H,16,17,18)(H2,19,20,21,22)/t8-,14+/m0/s1
InChIKeyBSXXINTZHYKKBG-RMLUDKJBSA-N
XLogP0.97
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 124881194) is (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CCc1ncnc(NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1F.
What is the InChIKey of (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is BSXXINTZHYKKBG-RMLUDKJBSA-N. The full InChI is InChI=1S/C14H18FN5O2/c1-2-9-10(15)11(18-7-17-9)16-6-8-4-3-5-14(8)12(21)19-13(22)20-14/h7-8H,2-6H2,1H3,(H,16,17,18)(H2,19,20,21,22)/t8-,14+/m0/s1.
What are the key properties of (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 307.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 124881194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).