8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H23F3N4O2 — CID 56911858

IUPAC8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)nc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)c1C
InChIInChI=1S/C17H23F3N4O2/c1-10-11(2)21-15(17(18,19)20)22-13(10)24-6-4-16(5-7-24)8-12(14(25)26)23(3)9-16/h12H,4-9H2,1-3H3,(H,25,26)
InChIKeyIDGOXRDDHTUAAH-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.49
Rot. Bonds2

About 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56911858) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56911858
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1nc(C(F)(F)F)nc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)c1C
InChIInChI=1S/C17H23F3N4O2/c1-10-11(2)21-15(17(18,19)20)22-13(10)24-6-4-16(5-7-24)8-12(14(25)26)23(3)9-16/h12H,4-9H2,1-3H3,(H,25,26)
InChIKeyIDGOXRDDHTUAAH-UHFFFAOYSA-N
XLogP2.49
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56911858) is 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1nc(C(F)(F)F)nc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)c1C.
What is the InChIKey of 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is IDGOXRDDHTUAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-10-11(2)21-15(17(18,19)20)22-13(10)24-6-4-16(5-7-24)8-12(14(25)26)23(3)9-16/h12H,4-9H2,1-3H3,(H,25,26).
What are the key properties of 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 372.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56911858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).