(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C15H22FN5O2 — CID 97115902

IUPAC(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN(C)c1nc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)ncc1F
InChIInChI=1S/C15H22FN5O2/c1-20(2)12-10(16)8-17-14(19-12)21-5-3-15(4-6-21)7-11(13(22)23)18-9-15/h8,11,18H,3-7,9H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyUIHNNKXNGDKARV-NSHDSACASA-N
MW323.37 g/mol
LogP0.71
Rot. Bonds3

About (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 97115902) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID97115902
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC Name(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN(C)c1nc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)ncc1F
InChIInChI=1S/C15H22FN5O2/c1-20(2)12-10(16)8-17-14(19-12)21-5-3-15(4-6-21)7-11(13(22)23)18-9-15/h8,11,18H,3-7,9H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyUIHNNKXNGDKARV-NSHDSACASA-N
XLogP0.71
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

8-(5-Fluoro-2-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56890794
2-Acetyl-8-[(2-amino-5-pyrimidinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72898465
8-(4-Amino-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887185
8-(2-Methyl-5-propyl-4-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56899484
(3S)-8-(5-propan-2-ylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95725537
(3S)-8-(2-methyl-5-propylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873082
1-[(5-Fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 143149941
(2R)-3-cyclobutyl-2-[3-[[4-[ethyl-(5-fluoropyrimidin-2-yl)amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
CID 148501318
(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 170632031
US20250268854, Example 55
CID 167496402
8-(5-Fluoro-2-pyrimidinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56887373
2-Acetyl-8-(5-fluoro-2-pyrimidinyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56914310

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 97115902) is (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN(C)c1nc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)ncc1F.
What is the InChIKey of (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is UIHNNKXNGDKARV-NSHDSACASA-N. The full InChI is InChI=1S/C15H22FN5O2/c1-20(2)12-10(16)8-17-14(19-12)21-5-3-15(4-6-21)7-11(13(22)23)18-9-15/h8,11,18H,3-7,9H2,1-2H3,(H,22,23)/t11-/m0/s1.
What are the key properties of (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 97115902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).